1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C18H27N3O2S — CID 72846449

IUPAC1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(CCCNC(=O)C2CC(=O)N(C3CCCC3)C2)sc1C
InChIInChI=1S/C18H27N3O2S/c1-12-13(2)24-16(20-12)8-5-9-19-18(23)14-10-17(22)21(11-14)15-6-3-4-7-15/h14-15H,3-11H2,1-2H3,(H,19,23)
InChIKeyOGBDTGLEJZRHJH-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.60
Rot. Bonds6

About 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 72846449) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID72846449
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(CCCNC(=O)C2CC(=O)N(C3CCCC3)C2)sc1C
InChIInChI=1S/C18H27N3O2S/c1-12-13(2)24-16(20-12)8-5-9-19-18(23)14-10-17(22)21(11-14)15-6-3-4-7-15/h14-15H,3-11H2,1-2H3,(H,19,23)
InChIKeyOGBDTGLEJZRHJH-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 72846449) is 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(CCCNC(=O)C2CC(=O)N(C3CCCC3)C2)sc1C.
What is the InChIKey of 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OGBDTGLEJZRHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12-13(2)24-16(20-12)8-5-9-19-18(23)14-10-17(22)21(11-14)15-6-3-4-7-15/h14-15H,3-11H2,1-2H3,(H,19,23).
What are the key properties of 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72846449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).