4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid

C13H19NO2S — CID 116965847

IUPAC4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCCCc1csc(C2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H19NO2S/c1-2-3-11-8-17-12(14-11)9-4-6-10(7-5-9)13(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyRXUUCROJRDALQO-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.45
Rot. Bonds4

About 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid

4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 116965847) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID116965847
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCCCc1csc(C2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H19NO2S/c1-2-3-11-8-17-12(14-11)9-4-6-10(7-5-9)13(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyRXUUCROJRDALQO-UHFFFAOYSA-N
XLogP3.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 103485335
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 70641697
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 65409041
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455

Frequently Asked Questions

What is the IUPAC name of 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid (CID 116965847) is 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid is CCCc1csc(C2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is RXUUCROJRDALQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-3-11-8-17-12(14-11)9-4-6-10(7-5-9)13(15)16/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116965847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).