2-(Boc-amino)-4-(hydroxymethyl)thiazole - CAS 494769-44-7

Catalog:	BB026708
Product Name:	2-(Boc-amino)-4-(hydroxymethyl)thiazole
CAS:	494769-44-7
Synonyms:	N-[4-(hydroxymethyl)-2-thiazolyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate
Description:	2-(Boc-amino)-4-(hydroxymethyl)thiazole (CAS# 494769-44-7) is a useful research chemical.
Molecular Weight:	230.28
Molecular Formula:	C9H14N2O3S
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC(=CS1)CO
InChI:	InChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h5,12H,4H2,1-3H3,(H,10,11,13)
InChI Key:	OWLBQQTUOQLZST-UHFFFAOYSA-N
Density:	1.316 g/cm³
LogP:	2.05540

Publication Number	Title	Priority Date
CA-3059885-A1	Aziridine containing epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates	20170411
JP-2020516626-A	Epothilone analogs containing aziridine, methods of synthesis, methods of treatment and drug conjugates	20170411
US-2021238187-A1	Aziridine containing epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates	20170411
AU-2018207337-A1	Thiobenzoimidazole as fungicides	20170113
BR-112019013653-A2	thiobenzoimidazole as a fungicide	20170113

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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+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.07251349
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	230.07251349
Rotatable Bond Count:	4
Topological Polar Surface Area:	99.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1