2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

C9H12N6OS — CID 63280307

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncsc1CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H12N6OS/c1-6-7(17-5-13-6)2-11-8(16)3-15-4-12-9(10)14-15/h4-5H,2-3H2,1H3,(H2,10,14)(H,11,16)
InChIKeyKHXHHSDYOZNPBF-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.06
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 63280307) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID63280307
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncsc1CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H12N6OS/c1-6-7(17-5-13-6)2-11-8(16)3-15-4-12-9(10)14-15/h4-5H,2-3H2,1H3,(H2,10,14)(H,11,16)
InChIKeyKHXHHSDYOZNPBF-UHFFFAOYSA-N
XLogP-0.06
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 63280307) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncsc1CNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is KHXHHSDYOZNPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-6-7(17-5-13-6)2-11-8(16)3-15-4-12-9(10)14-15/h4-5H,2-3H2,1H3,(H2,10,14)(H,11,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 252.30 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 63280307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).