N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C13H20N2O2S — CID 111426342

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(O)C2CCCC2)s1
InChIInChI=1S/C13H20N2O2S/c1-8-12(18-9(2)15-8)13(17)14-7-11(16)10-5-3-4-6-10/h10-11,16H,3-7H2,1-2H3,(H,14,17)
InChIKeyDHONPWUJWKPJLZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.04
Rot. Bonds4

About N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 111426342) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID111426342
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(O)C2CCCC2)s1
InChIInChI=1S/C13H20N2O2S/c1-8-12(18-9(2)15-8)13(17)14-7-11(16)10-5-3-4-6-10/h10-11,16H,3-7H2,1-2H3,(H,14,17)
InChIKeyDHONPWUJWKPJLZ-UHFFFAOYSA-N
XLogP2.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
N-[2-(cyclopropylamino)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103806373
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103771231
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120826574
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43394006
N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 111426339
N-(2-bromo-3-ethylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114168808
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 163091626
N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103807307
N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 106127337
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide
CID 111425985

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 111426342) is N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC(O)C2CCCC2)s1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is DHONPWUJWKPJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-12(18-9(2)15-8)13(17)14-7-11(16)10-5-3-4-6-10/h10-11,16H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111426342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).