2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C14H12ClN5OS2 — CID 4079249

IUPAC2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)s1
InChIInChI=1S/C14H12ClN5OS2/c1-9-18-19-13(23-9)17-12(21)8-22-14-16-5-6-20(14)11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,17,19,21)
InChIKeyWUHLHWBGVJJCQJ-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.42
Rot. Bonds5

About 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 4079249) has the molecular formula C14H12ClN5OS2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID4079249
Molecular FormulaC14H12ClN5OS2
Molecular Weight365.87 g/mol
Exact Mass365.02
IUPAC Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)s1
InChIInChI=1S/C14H12ClN5OS2/c1-9-18-19-13(23-9)17-12(21)8-22-14-16-5-6-20(14)11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,17,19,21)
InChIKeyWUHLHWBGVJJCQJ-UHFFFAOYSA-N
XLogP3.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 4079249) is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)s1.
What is the InChIKey of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WUHLHWBGVJJCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS2/c1-9-18-19-13(23-9)17-12(21)8-22-14-16-5-6-20(14)11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,17,19,21).
What are the key properties of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 365.87 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 4079249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).