2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C12H17NO3S — CID 114360064

IUPAC2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C2CCCCC2)sc1C(=O)O
InChIInChI=1S/C12H17NO3S/c1-16-7-9-10(12(14)15)17-11(13-9)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,14,15)
InChIKeyIFSQGBRWQKZOLT-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.04
Rot. Bonds4

About 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360064) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360064
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C2CCCCC2)sc1C(=O)O
InChIInChI=1S/C12H17NO3S/c1-16-7-9-10(12(14)15)17-11(13-9)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,14,15)
InChIKeyIFSQGBRWQKZOLT-UHFFFAOYSA-N
XLogP3.04
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone
CID 82432421
2-cyclopropyl-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
CID 82440824
4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509219
4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 82391389
2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358664
2-[2-(azepan-1-yl)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 82227659
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360077
2-[bis(cyclopropylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509404
4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 104838461

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 114360064) is 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(C2CCCCC2)sc1C(=O)O.
What is the InChIKey of 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IFSQGBRWQKZOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-7-9-10(12(14)15)17-11(13-9)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).