1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

C15H15ClN2OS3 — CID 1479873

IUPAC1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(SC2CCCC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS3/c16-11-7-5-10(6-8-11)13(19)9-20-14-17-18-15(22-14)21-12-3-1-2-4-12/h5-8,12H,1-4,9H2
InChIKeyMBABWNJCWPSEDF-UHFFFAOYSA-N
MW370.95 g/mol
LogP5.20
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 1479873) has the molecular formula C15H15ClN2OS3 and a molecular weight of 370.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID1479873
Molecular FormulaC15H15ClN2OS3
Molecular Weight370.95 g/mol
Exact Mass370.00
IUPAC Name1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(SC2CCCC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS3/c16-11-7-5-10(6-8-11)13(19)9-20-14-17-18-15(22-14)21-12-3-1-2-4-12/h5-8,12H,1-4,9H2
InChIKeyMBABWNJCWPSEDF-UHFFFAOYSA-N
XLogP5.20
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.95
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 1479873) is 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nnc(SC2CCCC2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is MBABWNJCWPSEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS3/c16-11-7-5-10(6-8-11)13(19)9-20-14-17-18-15(22-14)21-12-3-1-2-4-12/h5-8,12H,1-4,9H2.
What are the key properties of 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 370.95 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 1479873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).