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

C8H10N6OS2 — CID 3926225

IUPAC2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nccs2)n1N
InChIInChI=1S/C8H10N6OS2/c1-5-12-13-8(14(5)9)17-4-6(15)11-7-10-2-3-16-7/h2-3H,4,9H2,1H3,(H,10,11,15)
InChIKeyJFVJRQKJBVGOAE-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.49
Rot. Bonds4

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

2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3926225) has the molecular formula C8H10N6OS2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3926225
Molecular FormulaC8H10N6OS2
Molecular Weight270.34 g/mol
Exact Mass270.04
IUPAC Name2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nccs2)n1N
InChIInChI=1S/C8H10N6OS2/c1-5-12-13-8(14(5)9)17-4-6(15)11-7-10-2-3-16-7/h2-3H,4,9H2,1H3,(H,10,11,15)
InChIKeyJFVJRQKJBVGOAE-UHFFFAOYSA-N
XLogP0.49
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3926225) is 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nnc(SCC(=O)Nc2nccs2)n1N.
What is the InChIKey of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JFVJRQKJBVGOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS2/c1-5-12-13-8(14(5)9)17-4-6(15)11-7-10-2-3-16-7/h2-3H,4,9H2,1H3,(H,10,11,15).
What are the key properties of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 270.34 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3926225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).