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

C19H22N2O3S — CID 2862453

IUPAC2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2csc(NC(=O)C3CCCCC3C(=O)O)n2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-11-7-8-13(12(2)9-11)16-10-25-19(20-16)21-17(22)14-5-3-4-6-15(14)18(23)24/h7-10,14-15H,3-6H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLSTGYEAPORVPFO-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.26
Rot. Bonds4

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

2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2862453) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2862453
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2csc(NC(=O)C3CCCCC3C(=O)O)n2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-11-7-8-13(12(2)9-11)16-10-25-19(20-16)21-17(22)14-5-3-4-6-15(14)18(23)24/h7-10,14-15H,3-6H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLSTGYEAPORVPFO-UHFFFAOYSA-N
XLogP4.26
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 2862453) is 2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(-c2csc(NC(=O)C3CCCCC3C(=O)O)n2)c(C)c1.
What is the InChIKey of 2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LSTGYEAPORVPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-11-7-8-13(12(2)9-11)16-10-25-19(20-16)21-17(22)14-5-3-4-6-15(14)18(23)24/h7-10,14-15H,3-6H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 358.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2862453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).