2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride

C5H8ClN3OS — CID 138991822

IUPAC2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCl.NCc1ncc(C(N)=O)s1
InChIInChI=1S/C5H7N3OS.ClH/c6-1-4-8-2-3(10-4)5(7)9;/h2H,1,6H2,(H2,7,9);1H
InChIKeyNJWWHYVSJCNICJ-UHFFFAOYSA-N
MW193.66 g/mol
LogP0.12
Rot. Bonds2

About 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride

2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 138991822) has the molecular formula C5H8ClN3OS and a molecular weight of 193.66 g/mol. Its IUPAC name is 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID138991822
Molecular FormulaC5H8ClN3OS
Molecular Weight193.66 g/mol
Exact Mass193.01
IUPAC Name2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCl.NCc1ncc(C(N)=O)s1
InChIInChI=1S/C5H7N3OS.ClH/c6-1-4-8-2-3(10-4)5(7)9;/h2H,1,6H2,(H2,7,9);1H
InChIKeyNJWWHYVSJCNICJ-UHFFFAOYSA-N
XLogP0.12
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Thiazolecarboxamide
CID 3018505
2-Bromo-N-methylthiazole-5-carboxamide
CID 20328461
2-Bromo-1,3-thiazole-5-carboxamide
CID 20328604
2-Methylthiazole-5-carbohydrazide
CID 45084466
N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47002207
N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47398670
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
2-tert-butyl-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53516078
2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 53537744
2-Methyl-1,3-thiazole-5-carbohydrazide dihydrochloride
CID 165948641
Thiazole-5-hydroxamic
CID 87525999
2-(Trifluoromethyl)thiazole-5-carboxamide
CID 17905008

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 138991822) is 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride is Cl.NCc1ncc(C(N)=O)s1.
What is the InChIKey of 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is NJWWHYVSJCNICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS.ClH/c6-1-4-8-2-3(10-4)5(7)9;/h2H,1,6H2,(H2,7,9);1H.
What are the key properties of 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 193.66 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 138991822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).