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

C5H7N3OS — CID 23160076

IUPAC2-(aminomethyl)-1,3-thiazole-5-carboxamide
SMILESNCc1ncc(C(N)=O)s1
InChIInChI=1S/C5H7N3OS/c6-1-4-8-2-3(10-4)5(7)9/h2H,1,6H2,(H2,7,9)
InChIKeyTZELSYSVAWFEFA-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.30
Rot. Bonds2

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

2-(aminomethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23160076) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 2-(aminomethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-1,3-thiazole-5-carboxamide
PubChem CID23160076
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name2-(aminomethyl)-1,3-thiazole-5-carboxamide
SMILESNCc1ncc(C(N)=O)s1
InChIInChI=1S/C5H7N3OS/c6-1-4-8-2-3(10-4)5(7)9/h2H,1,6H2,(H2,7,9)
InChIKeyTZELSYSVAWFEFA-UHFFFAOYSA-N
XLogP-0.30
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Thiazolecarboxamide
CID 3018505
2-Amino-1,3-thiazole-5-carboxamide
CID 16227213
Thiazole-5-carbohydrazide
CID 468665
2-Bromo-N-methylthiazole-5-carboxamide
CID 20328461
2-Bromo-1,3-thiazole-5-carboxamide
CID 20328604
2-bromo-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 20482368
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-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-(Aminomethyl)-1,3-thiazole-5-carboxamide hydrochloride
CID 138991822

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(aminomethyl)-1,3-thiazole-5-carboxamide (CID 23160076) is 2-(aminomethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(aminomethyl)-1,3-thiazole-5-carboxamide is NCc1ncc(C(N)=O)s1.
What is the InChIKey of 2-(aminomethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is TZELSYSVAWFEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c6-1-4-8-2-3(10-4)5(7)9/h2H,1,6H2,(H2,7,9).
What are the key properties of 2-(aminomethyl)-1,3-thiazole-5-carboxamide?
2-(aminomethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 157.20 g/mol, XLogP of -0.30, 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 is sourced from PubChem (CID 23160076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).