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

C14H18N2O4S — CID 19579234

IUPAC2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C
InChIInChI=1S/C14H18N2O4S/c1-7-11(8(2)17)21-14(15-7)16-12(18)9-5-3-4-6-10(9)13(19)20/h9-10H,3-6H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyXWPFYEZTGRXXBL-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.48
Rot. Bonds4

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

2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 19579234) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID19579234
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C
InChIInChI=1S/C14H18N2O4S/c1-7-11(8(2)17)21-14(15-7)16-12(18)9-5-3-4-6-10(9)13(19)20/h9-10H,3-6H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyXWPFYEZTGRXXBL-UHFFFAOYSA-N
XLogP2.48
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 19579234) is 2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is CC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C.
What is the InChIKey of 2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XWPFYEZTGRXXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-7-11(8(2)17)21-14(15-7)16-12(18)9-5-3-4-6-10(9)13(19)20/h9-10H,3-6H2,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19579234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).