2-(aminomethyl)-1,3-thiazole-4-carboxamide

C5H7N3OS — CID 18003418

IUPAC2-(aminomethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(N)=O)cs1
InChIInChI=1S/C5H7N3OS/c6-1-4-8-3(2-10-4)5(7)9/h2H,1,6H2,(H2,7,9)
InChIKeyVXKQIPWHZSQXLJ-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.30
Rot. Bonds2

About 2-(aminomethyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-1,3-thiazole-4-carboxamide (PubChem CID 18003418) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 2-(aminomethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-1,3-thiazole-4-carboxamide
PubChem CID18003418
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name2-(aminomethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(N)=O)cs1
InChIInChI=1S/C5H7N3OS/c6-1-4-8-3(2-10-4)5(7)9/h2H,1,6H2,(H2,7,9)
InChIKeyVXKQIPWHZSQXLJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-1,3-thiazole-4-carboxamide (CID 18003418) is 2-(aminomethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(N)=O)cs1.
What is the InChIKey of 2-(aminomethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VXKQIPWHZSQXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c6-1-4-8-3(2-10-4)5(7)9/h2H,1,6H2,(H2,7,9).
What are the key properties of 2-(aminomethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-1,3-thiazole-4-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-4-carboxamide is sourced from PubChem (CID 18003418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).