Methyl 4-amino-5-methylthiophene-2-carboxylate - CAS 501082-56-0

Catalog:	BB056519
Product Name:	Methyl 4-amino-5-methylthiophene-2-carboxylate
CAS:	501082-56-0
Synonyms:	methyl 4-amino-5-methylthiophene-2-carboxylate; methyl4-amino-5-methylthiophene-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-amino-5-methylthiophene-2-carboxylate
Description:	Methyl 4-amino-5-methylthiophene-2-carboxylate
Molecular Weight:	171.22
Molecular Formula:	C7H9NO2S
Canonical SMILES:	CC1=C(C=C(S1)C(=O)OC)N
InChI:	InChI=1S/C7H9NO2S/c1-4-5(8)3-6(11-4)7(9)10-2/h3H,8H2,1-2H3
InChI Key:	ZTTXAKCLKGBDIR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
TW-201718551-A	Indoleamine compound for treating medical conditions	20150826
TW-201720438-A	Compound for treating medical conditions	20150826
US-10092584-B2	Compounds for the treatment of medical disorders	20150826
US-10138225-B2	Amide compounds for treatment of medical disorders	20150826
US-2017056428-A1	Compounds for the Treatment of Medical Disorders	20150826
US-2017057950-A1	Amide Compounds for Treatment of Medical Disorders	20150826
WO-2017035349-A1	Amide compounds for treatment of medical disorders	20150826
WO-2017035360-A1	Compounds for the treatment of medical disorders	20150826
KR-101663277-B1	Tnik ikk tbk1 pyrazole derivatives as tnik ikk and tbk1 inhibitor and pharmaceutical composition comprising same	20150330
US-10294207-B2	Pyrazole derivatives as TNIK, IKKÏµ and TBK1 inhibitor and pharmaceutical composition comprising same	20150330

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0353997
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.0353997
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5