1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C15H22N4O3S2 — CID 6497397

IUPAC1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCSc1nnc(NC(=O)C2CC(=O)N(C3CCCC3)C2)s1
InChIInChI=1S/C15H22N4O3S2/c1-22-6-7-23-15-18-17-14(24-15)16-13(21)10-8-12(20)19(9-10)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,17,21)
InChIKeyOAFOFDHSHFPPHK-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.01
Rot. Bonds7

About 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6497397) has the molecular formula C15H22N4O3S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID6497397
Molecular FormulaC15H22N4O3S2
Molecular Weight370.50 g/mol
Exact Mass370.11
IUPAC Name1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCSc1nnc(NC(=O)C2CC(=O)N(C3CCCC3)C2)s1
InChIInChI=1S/C15H22N4O3S2/c1-22-6-7-23-15-18-17-14(24-15)16-13(21)10-8-12(20)19(9-10)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,17,21)
InChIKeyOAFOFDHSHFPPHK-UHFFFAOYSA-N
XLogP2.01
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 6497397) is 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is COCCSc1nnc(NC(=O)C2CC(=O)N(C3CCCC3)C2)s1.
What is the InChIKey of 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OAFOFDHSHFPPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S2/c1-22-6-7-23-15-18-17-14(24-15)16-13(21)10-8-12(20)19(9-10)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,17,21).
What are the key properties of 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6497397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).