2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C13H18N2O3S — CID 116697211

IUPAC2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCC1CCCC(NC(=O)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-8-4-3-5-9(6-8)14-11(16)12-15-10(7-19-12)13(17)18/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRZHBFTNVKNVUSP-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.54
Rot. Bonds4

About 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116697211) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116697211
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCC1CCCC(NC(=O)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-8-4-3-5-9(6-8)14-11(16)12-15-10(7-19-12)13(17)18/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRZHBFTNVKNVUSP-UHFFFAOYSA-N
XLogP2.54
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116697211) is 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is CCC1CCCC(NC(=O)c2nc(C(=O)O)cs2)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RZHBFTNVKNVUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-8-4-3-5-9(6-8)14-11(16)12-15-10(7-19-12)13(17)18/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).