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

C9H12N6OS — CID 63238476

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESNc1ncn(CC(=O)NCCc2nccs2)n1
InChIInChI=1S/C9H12N6OS/c10-9-13-6-15(14-9)5-7(16)11-2-1-8-12-3-4-17-8/h3-4,6H,1-2,5H2,(H2,10,14)(H,11,16)
InChIKeyNOXLZEVSVMOFOP-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.32
Rot. Bonds5

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

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 63238476) 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-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID63238476
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESNc1ncn(CC(=O)NCCc2nccs2)n1
InChIInChI=1S/C9H12N6OS/c10-9-13-6-15(14-9)5-7(16)11-2-1-8-12-3-4-17-8/h3-4,6H,1-2,5H2,(H2,10,14)(H,11,16)
InChIKeyNOXLZEVSVMOFOP-UHFFFAOYSA-N
XLogP-0.32
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.32
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-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 63238476) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is Nc1ncn(CC(=O)NCCc2nccs2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is NOXLZEVSVMOFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c10-9-13-6-15(14-9)5-7(16)11-2-1-8-12-3-4-17-8/h3-4,6H,1-2,5H2,(H2,10,14)(H,11,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 252.30 g/mol, XLogP of -0.32, 5 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-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 63238476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).