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

C12H10N6OS2 — CID 890459

IUPAC2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)Nc1nncs1
InChIInChI=1S/C12H10N6OS2/c19-10(15-12-16-14-8-21-12)6-20-11-13-7-18(17-11)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16,19)
InChIKeyCNGFHKMGBHHXEI-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.85
Rot. Bonds5

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

2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 890459) has the molecular formula C12H10N6OS2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID890459
Molecular FormulaC12H10N6OS2
Molecular Weight318.39 g/mol
Exact Mass318.04
IUPAC Name2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)Nc1nncs1
InChIInChI=1S/C12H10N6OS2/c19-10(15-12-16-14-8-21-12)6-20-11-13-7-18(17-11)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16,19)
InChIKeyCNGFHKMGBHHXEI-UHFFFAOYSA-N
XLogP1.85
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide
CID 2955968
N-phenyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2660034
2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
CID 16229067
2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
CID 1851980
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
CID 889220
N-(5-methyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9549087
N-(4-Methyl-thiazol-2-yl)-2-(1-phenyl-1H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 972808
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 977368
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 1018414
N-(4-Acetylamino-phenyl)-2-(2-phenyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1096329
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 2922049
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 828374

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 890459) is 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CSc1ncn(-c2ccccc2)n1)Nc1nncs1.
What is the InChIKey of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CNGFHKMGBHHXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS2/c19-10(15-12-16-14-8-21-12)6-20-11-13-7-18(17-11)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16,19).
What are the key properties of 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 318.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 890459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).