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

C20H24N2O3S — CID 87310875

IUPAC2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C)c(-c2nc(NC(=O)C3CCCCC3C(=O)O)sc2C)c1
InChIInChI=1S/C20H24N2O3S/c1-11-8-9-12(2)16(10-11)17-13(3)26-20(21-17)22-18(23)14-6-4-5-7-15(14)19(24)25/h8-10,14-15H,4-7H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyDTXHCNSTTHQSEW-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.56
Rot. Bonds4

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

2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 87310875) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID87310875
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C)c(-c2nc(NC(=O)C3CCCCC3C(=O)O)sc2C)c1
InChIInChI=1S/C20H24N2O3S/c1-11-8-9-12(2)16(10-11)17-13(3)26-20(21-17)22-18(23)14-6-4-5-7-15(14)19(24)25/h8-10,14-15H,4-7H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyDTXHCNSTTHQSEW-UHFFFAOYSA-N
XLogP4.56
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 87310875) is 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(C)c(-c2nc(NC(=O)C3CCCCC3C(=O)O)sc2C)c1.
What is the InChIKey of 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DTXHCNSTTHQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-11-8-9-12(2)16(10-11)17-13(3)26-20(21-17)22-18(23)14-6-4-5-7-15(14)19(24)25/h8-10,14-15H,4-7H2,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 372.49 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 87310875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).