3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide

C7H8N6OS — CID 62807696

IUPAC3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2nc(N)n[nH]2)s1
InChIInChI=1S/C7H8N6OS/c1-3-2-9-7(15-3)11-5(14)4-10-6(8)13-12-4/h2H,1H3,(H,9,11,14)(H3,8,10,12,13)
InChIKeyQODXWZSTKMCMQH-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.40
Rot. Bonds2

About 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807696) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807696
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2nc(N)n[nH]2)s1
InChIInChI=1S/C7H8N6OS/c1-3-2-9-7(15-3)11-5(14)4-10-6(8)13-12-4/h2H,1H3,(H,9,11,14)(H3,8,10,12,13)
InChIKeyQODXWZSTKMCMQH-UHFFFAOYSA-N
XLogP0.40
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 62807696) is 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide is Cc1cnc(NC(=O)c2nc(N)n[nH]2)s1.
What is the InChIKey of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is QODXWZSTKMCMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c1-3-2-9-7(15-3)11-5(14)4-10-6(8)13-12-4/h2H,1H3,(H,9,11,14)(H3,8,10,12,13).
What are the key properties of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 224.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).