2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid

C14H21NO2S — CID 116865686

IUPAC2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
SMILESCc1sc(C(C)(C)C(=O)O)nc1C1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-9-11(10-7-5-4-6-8-10)15-12(18-9)14(2,3)13(16)17/h10H,4-8H2,1-3H3,(H,16,17)
InChIKeySRJSRRMZASBITM-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.86
Rot. Bonds3

About 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid

2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid (PubChem CID 116865686) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
PubChem CID116865686
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
SMILESCc1sc(C(C)(C)C(=O)O)nc1C1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-9-11(10-7-5-4-6-8-10)15-12(18-9)14(2,3)13(16)17/h10H,4-8H2,1-3H3,(H,16,17)
InChIKeySRJSRRMZASBITM-UHFFFAOYSA-N
XLogP3.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865676
4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid
CID 105440602
(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)methanamine
CID 105464505
2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 116868149
2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid
CID 116899904
2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 22494322
4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226726
4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105462756
N-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2,2-diphenylacetamide
CID 167959663
2-(2-cyclohexyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
CID 82437050
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid (CID 116865686) is 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid is Cc1sc(C(C)(C)C(=O)O)nc1C1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid?
The InChIKey is SRJSRRMZASBITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-11(10-7-5-4-6-8-10)15-12(18-9)14(2,3)13(16)17/h10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid?
2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid has a molecular weight of 267.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 116865686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).