3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C12H18N2OS — CID 897357

IUPAC3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15)
InChIKeyOCHVUIYGDNVFCO-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.36
Rot. Bonds4

About 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 897357) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID897357
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15)
InChIKeyOCHVUIYGDNVFCO-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 897357) is 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)CCC2CCCC2)s1.
What is the InChIKey of 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OCHVUIYGDNVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 238.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 897357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).