2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

C19H22N2O4S — CID 87383299

IUPAC2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(-c2nc(NC(=O)C3CCCCC3C(=O)O)sc2C)c1
InChIInChI=1S/C19H22N2O4S/c1-11-16(12-6-5-7-13(10-12)25-2)20-19(26-11)21-17(22)14-8-3-4-9-15(14)18(23)24/h5-7,10,14-15H,3-4,8-9H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyVWDJJFCDYPZFAJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.96
Rot. Bonds5

About 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 87383299) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID87383299
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(-c2nc(NC(=O)C3CCCCC3C(=O)O)sc2C)c1
InChIInChI=1S/C19H22N2O4S/c1-11-16(12-6-5-7-13(10-12)25-2)20-19(26-11)21-17(22)14-8-3-4-9-15(14)18(23)24/h5-7,10,14-15H,3-4,8-9H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyVWDJJFCDYPZFAJ-UHFFFAOYSA-N
XLogP3.96
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-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

trans-(1S,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753063
cis-(1R,2S)-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1229830
cis-(1R,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6937188
trans-(1R,2R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 52536385
trans-(1S,2S)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1231767
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87310875
2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17377181
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226564
cis-(1S,2R)-2-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1304529
cis-(1R,2S)-2-[(5-cyano-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 25260781
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
cis-(1R,2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716099

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 87383299) is 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is COc1cccc(-c2nc(NC(=O)C3CCCCC3C(=O)O)sc2C)c1.
What is the InChIKey of 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VWDJJFCDYPZFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-11-16(12-6-5-7-13(10-12)25-2)20-19(26-11)21-17(22)14-8-3-4-9-15(14)18(23)24/h5-7,10,14-15H,3-4,8-9H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 374.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 87383299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).