N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C13H12N6OS2 — CID 743031

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)s1
InChIInChI=1S/C13H12N6OS2/c1-8-16-19-13(22-8)14-10(20)7-21-12-15-11(17-18-12)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,19,20)(H,15,17,18)
InChIKeyOIZRGIVOYQEAEP-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.36
Rot. Bonds5

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 743031) has the molecular formula C13H12N6OS2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID743031
Molecular FormulaC13H12N6OS2
Molecular Weight332.41 g/mol
Exact Mass332.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)s1
InChIInChI=1S/C13H12N6OS2/c1-8-16-19-13(22-8)14-10(20)7-21-12-15-11(17-18-12)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,19,20)(H,15,17,18)
InChIKeyOIZRGIVOYQEAEP-UHFFFAOYSA-N
XLogP2.36
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 743031) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nnc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is OIZRGIVOYQEAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS2/c1-8-16-19-13(22-8)14-10(20)7-21-12-15-11(17-18-12)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,19,20)(H,15,17,18).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 743031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).