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

C12H16N2O3S — CID 2885889

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1csc(NC(=O)C2CCCCC2C(=O)O)n1
InChIInChI=1S/C12H16N2O3S/c1-7-6-18-12(13-7)14-10(15)8-4-2-3-5-9(8)11(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyLSHPFCFZGWIBDJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.28
Rot. Bonds3

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

2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2885889) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2885889
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1csc(NC(=O)C2CCCCC2C(=O)O)n1
InChIInChI=1S/C12H16N2O3S/c1-7-6-18-12(13-7)14-10(15)8-4-2-3-5-9(8)11(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyLSHPFCFZGWIBDJ-UHFFFAOYSA-N
XLogP2.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2885889) is 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1csc(NC(=O)C2CCCCC2C(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LSHPFCFZGWIBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-6-18-12(13-7)14-10(15)8-4-2-3-5-9(8)11(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2885889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).