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

C13H20N2OS — CID 22170644

IUPAC2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)CC2CCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-9(2)11-8-14-13(17-11)15-12(16)7-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyKGKHPKPNSMFVHC-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.79
Rot. Bonds4

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

2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 22170644) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID22170644
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)CC2CCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-9(2)11-8-14-13(17-11)15-12(16)7-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyKGKHPKPNSMFVHC-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 22170644) is 2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1cnc(NC(=O)CC2CCCC2)s1.
What is the InChIKey of 2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KGKHPKPNSMFVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)11-8-14-13(17-11)15-12(16)7-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 252.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22170644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).