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

C14H22N2OS — CID 22170771

IUPAC3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1cnc(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C14H22N2OS/c1-10(2)12-9-15-14(18-12)16-13(17)8-7-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOKNXOTONFRCBCM-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.18
Rot. Bonds5

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

3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 22170771) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID22170771
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1cnc(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C14H22N2OS/c1-10(2)12-9-15-14(18-12)16-13(17)8-7-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOKNXOTONFRCBCM-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.18
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-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 22170771) is 3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1cnc(NC(=O)CCC2CCCC2)s1.
What is the InChIKey of 3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OKNXOTONFRCBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)12-9-15-14(18-12)16-13(17)8-7-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 266.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22170771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).