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

C14H14N6OS2 — CID 6459701

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)s1
InChIInChI=1S/C14H14N6OS2/c1-2-11-17-20-14(23-11)15-10(21)8-22-13-16-12(18-19-13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,20,21)(H,16,18,19)
InChIKeyUJFAQUKELFSVQQ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.62
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6459701) has the molecular formula C14H14N6OS2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6459701
Molecular FormulaC14H14N6OS2
Molecular Weight346.44 g/mol
Exact Mass346.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)s1
InChIInChI=1S/C14H14N6OS2/c1-2-11-17-20-14(23-11)15-10(21)8-22-13-16-12(18-19-13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,20,21)(H,16,18,19)
InChIKeyUJFAQUKELFSVQQ-UHFFFAOYSA-N
XLogP2.62
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6459701) is N-(5-ethyl-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-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is UJFAQUKELFSVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS2/c1-2-11-17-20-14(23-11)15-10(21)8-22-13-16-12(18-19-13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,20,21)(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6459701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).