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

C20H24N2O3S — CID 120672380

IUPAC4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2ccc(CCNC(=O)C3CCC(C(=O)O)CC3)cc2)cs1
InChIInChI=1S/C20H24N2O3S/c1-13-22-18(12-26-13)15-4-2-14(3-5-15)10-11-21-19(23)16-6-8-17(9-7-16)20(24)25/h2-5,12,16-17H,6-11H2,1H3,(H,21,23)(H,24,25)
InChIKeyXLIQTEHJEKVRRO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.67
Rot. Bonds6

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

4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672380) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672380
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2ccc(CCNC(=O)C3CCC(C(=O)O)CC3)cc2)cs1
InChIInChI=1S/C20H24N2O3S/c1-13-22-18(12-26-13)15-4-2-14(3-5-15)10-11-21-19(23)16-6-8-17(9-7-16)20(24)25/h2-5,12,16-17H,6-11H2,1H3,(H,21,23)(H,24,25)
InChIKeyXLIQTEHJEKVRRO-UHFFFAOYSA-N
XLogP3.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17446212
(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
CID 95160498
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide
CID 46532670
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
3-cyclohexyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 16568181
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108809814
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672380) is 4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1nc(-c2ccc(CCNC(=O)C3CCC(C(=O)O)CC3)cc2)cs1.
What is the InChIKey of 4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XLIQTEHJEKVRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-22-18(12-26-13)15-4-2-14(3-5-15)10-11-21-19(23)16-6-8-17(9-7-16)20(24)25/h2-5,12,16-17H,6-11H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 372.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).