2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H15N3OS3 — CID 51202223

IUPAC2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CC1C=CCC1)Nc1nnc(SCc2cccs2)s1
InChIInChI=1S/C14H15N3OS3/c18-12(8-10-4-1-2-5-10)15-13-16-17-14(21-13)20-9-11-6-3-7-19-11/h1,3-4,6-7,10H,2,5,8-9H2,(H,15,16,18)
InChIKeyOGAVXVFPNQIOEA-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.19
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 51202223) has the molecular formula C14H15N3OS3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID51202223
Molecular FormulaC14H15N3OS3
Molecular Weight337.50 g/mol
Exact Mass337.04
IUPAC Name2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CC1C=CCC1)Nc1nnc(SCc2cccs2)s1
InChIInChI=1S/C14H15N3OS3/c18-12(8-10-4-1-2-5-10)15-13-16-17-14(21-13)20-9-11-6-3-7-19-11/h1,3-4,6-7,10H,2,5,8-9H2,(H,15,16,18)
InChIKeyOGAVXVFPNQIOEA-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 51202223) is 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CC1C=CCC1)Nc1nnc(SCc2cccs2)s1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OGAVXVFPNQIOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS3/c18-12(8-10-4-1-2-5-10)15-13-16-17-14(21-13)20-9-11-6-3-7-19-11/h1,3-4,6-7,10H,2,5,8-9H2,(H,15,16,18).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 337.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 51202223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).