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

C19H22N2O3S — CID 22583823

IUPAC2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H22N2O3S/c22-17(15-8-4-5-9-16(15)19(23)24)20-11-10-14-12-25-18(21-14)13-6-2-1-3-7-13/h1-3,6-7,12,15-16H,4-5,8-11H2,(H,20,22)(H,23,24)
InChIKeyYIZWACHEPUOPQO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.36
Rot. Bonds6

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

2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 22583823) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID22583823
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H22N2O3S/c22-17(15-8-4-5-9-16(15)19(23)24)20-11-10-14-12-25-18(21-14)13-6-2-1-3-7-13/h1-3,6-7,12,15-16H,4-5,8-11H2,(H,20,22)(H,23,24)
InChIKeyYIZWACHEPUOPQO-UHFFFAOYSA-N
XLogP3.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 22583823) is 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is YIZWACHEPUOPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-17(15-8-4-5-9-16(15)19(23)24)20-11-10-14-12-25-18(21-14)13-6-2-1-3-7-13/h1-3,6-7,12,15-16H,4-5,8-11H2,(H,20,22)(H,23,24).
What are the key properties of 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 358.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22583823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).