4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

C15H24N2O2S — CID 123429134

IUPAC4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(CC2CCCCC2)cs1
InChIInChI=1S/C15H24N2O2S/c1-15(2,19)10-16-13(18)14-17-12(9-20-14)8-11-6-4-3-5-7-11/h9,11,19H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyPYNGTPBBEYKNDT-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.77
Rot. Bonds5

About 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 123429134) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
PubChem CID123429134
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(CC2CCCCC2)cs1
InChIInChI=1S/C15H24N2O2S/c1-15(2,19)10-16-13(18)14-17-12(9-20-14)8-11-6-4-3-5-7-11/h9,11,19H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyPYNGTPBBEYKNDT-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-[4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl] acetate
CID 121302150
tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate
CID 121303179
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-N-(2-hydroxy-2-methylpropyl)pyrimidine-2-carboxamide
CID 118186098
4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide
CID 159632312
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158336
5-[4-(tert-butylsulfamoyl)-3-chloro-2-methylphenyl]-4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185798
[2-[1-[(2-hydroxy-2-methylpropyl)amino]ethenyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 163929670
4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63588142
carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 159765137
4-(cyclobutylmethyl)-5-[4-(2,2-dimethylpropylsulfonyl)naphthalen-1-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185651
4-(cyclohexylmethyl)-5-[4-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-1-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185887

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (CID 123429134) is 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)cs1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is PYNGTPBBEYKNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,19)10-16-13(18)14-17-12(9-20-14)8-11-6-4-3-5-7-11/h9,11,19H,3-8,10H2,1-2H3,(H,16,18).
What are the key properties of 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123429134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).