4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C19H22N2O3S — CID 120673541

IUPAC4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)CC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H22N2O3S/c1-12(18-21-16(11-25-18)13-5-3-2-4-6-13)20-17(22)14-7-9-15(10-8-14)19(23)24/h2-6,11-12,14-15H,7-10H2,1H3,(H,20,22)(H,23,24)
InChIKeyBEWBURCQUZMQKU-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.88
Rot. Bonds5

About 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673541) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673541
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)CC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H22N2O3S/c1-12(18-21-16(11-25-18)13-5-3-2-4-6-13)20-17(22)14-7-9-15(10-8-14)19(23)24/h2-6,11-12,14-15H,7-10H2,1H3,(H,20,22)(H,23,24)
InChIKeyBEWBURCQUZMQKU-UHFFFAOYSA-N
XLogP3.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]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

4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031112
2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 119320857
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119778931
5-methyl-1-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122709
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
(2R)-2-(cyclopropylmethoxy)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 95291640
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
3-[methyl-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001267
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673541) is 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CC(NC(=O)C1CCC(C(=O)O)CC1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BEWBURCQUZMQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12(18-21-16(11-25-18)13-5-3-2-4-6-13)20-17(22)14-7-9-15(10-8-14)19(23)24/h2-6,11-12,14-15H,7-10H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 358.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).