4-(Boc-amino)thiazole - CAS 1235406-42-4

Catalog:	BB005711
Product Name:	4-(Boc-amino)thiazole
CAS:	1235406-42-4
Synonyms:	N-(4-thiazolyl)carbamic acid tert-butyl ester; tert-butyl N-(1,3-thiazol-4-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(1,3-thiazol-4-yl)carbamate
Description:	4-(Boc-amino)thiazole (CAS# 1235406-42-4) is a useful research chemical.
Molecular Weight:	200.26
Molecular Formula:	C8H12N2O2S
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CSC=N1
InChI:	InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-4-13-5-9-6/h4-5H,1-3H3,(H,10,11)
InChI Key:	NNPOFSOQPYVUDW-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD18800853
LogP:	2.56310

Publication Number	Title	Priority Date
WO-2020119616-A1	Benzene sulfonamide substituted derivatives, preparation method therefor and use thereof	20181210
US-2020071313-A1	Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors	20180831
US-2020157089-A1	Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents	20180831
WO-2020047312-A1	Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors	20180831
WO-2020047323-A1	Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents	20180831

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Related Functional Groups

Nitrogen Compounds

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[1281984-38-0]
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[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[2006278-12-0]
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[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.06194880
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.06194880
Rotatable Bond Count:	3
Topological Polar Surface Area:	79.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9