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

C18H20N2O3S — CID 2933180

IUPAC2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-11-15(12-7-3-2-4-8-12)19-18(24-11)20-16(21)13-9-5-6-10-14(13)17(22)23/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyOAJOTIZEIAAZEE-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.95
Rot. Bonds4

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

2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2933180) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2933180
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-11-15(12-7-3-2-4-8-12)19-18(24-11)20-16(21)13-9-5-6-10-14(13)17(22)23/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyOAJOTIZEIAAZEE-UHFFFAOYSA-N
XLogP3.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2933180) is 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OAJOTIZEIAAZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-15(12-7-3-2-4-8-12)19-18(24-11)20-16(21)13-9-5-6-10-14(13)17(22)23/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 344.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2933180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).