N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide

C13H20N2OS — CID 35521753

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CCCC2)n1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)10-8-17-12(14-10)15-11(16)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyAZWGSPFAOYWVFB-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.57
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide (PubChem CID 35521753) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
PubChem CID35521753
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CCCC2)n1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)10-8-17-12(14-10)15-11(16)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyAZWGSPFAOYWVFB-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide (CID 35521753) is N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide is CC(C)(C)c1csc(NC(=O)C2CCCC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is AZWGSPFAOYWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2,3)10-8-17-12(14-10)15-11(16)9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 35521753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).