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

C13H11N5OS2 — CID 977368

IUPAC2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)Nc1nccs1
InChIInChI=1S/C13H11N5OS2/c19-11(16-12-14-6-7-20-12)8-21-13-15-9-18(17-13)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,16,19)
InChIKeyINAZRYFUFYCEAH-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.45
Rot. Bonds5

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

2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 977368) has the molecular formula C13H11N5OS2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID977368
Molecular FormulaC13H11N5OS2
Molecular Weight317.40 g/mol
Exact Mass317.04
IUPAC Name2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)Nc1nccs1
InChIInChI=1S/C13H11N5OS2/c19-11(16-12-14-6-7-20-12)8-21-13-15-9-18(17-13)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,16,19)
InChIKeyINAZRYFUFYCEAH-UHFFFAOYSA-N
XLogP2.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4170205
2-Phenylcarbamoylmethylsulfanyl-N-thiazol-2-yl-acetamide
CID 651375
4-{[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl}-1,3-thiazol-2-amine
CID 890044
1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide
CID 2124742
N-(1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2165076
2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2940142
2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 6470620
2-((4-amino-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 7579802
Urea, n-phenyl-n'-2-thiazolyl-
CID 283977
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
CID 889220
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 890459
N-(5-methyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9549087

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 977368) is 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1ncn(-c2ccccc2)n1)Nc1nccs1.
What is the InChIKey of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is INAZRYFUFYCEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS2/c19-11(16-12-14-6-7-20-12)8-21-13-15-9-18(17-13)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,16,19).
What are the key properties of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 317.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 977368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).