2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide

C15H18N4OS2 — CID 2101679

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NC1CCCC1
InChIInChI=1S/C15H18N4OS2/c20-13(16-11-8-4-5-9-11)10-21-15-19-18-14(22-15)17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,16,20)(H,17,18)
InChIKeyJXYLFTPMHIRXNE-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.43
Rot. Bonds6

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 2101679) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID2101679
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NC1CCCC1
InChIInChI=1S/C15H18N4OS2/c20-13(16-11-8-4-5-9-11)10-21-15-19-18-14(22-15)17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,16,20)(H,17,18)
InChIKeyJXYLFTPMHIRXNE-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide (CID 2101679) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide is O=C(CSc1nnc(Nc2ccccc2)s1)NC1CCCC1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is JXYLFTPMHIRXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c20-13(16-11-8-4-5-9-11)10-21-15-19-18-14(22-15)17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,16,20)(H,17,18).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 334.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 2101679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).