4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid

C15H23NO2S — CID 104838461

IUPAC4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C2CCC(C(C)C)CC2)sc1C(=O)O
InChIInChI=1S/C15H23NO2S/c1-4-12-13(15(17)18)19-14(16-12)11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyLFVSAVAOLSXDHO-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.33
Rot. Bonds4

About 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid

4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 104838461) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
PubChem CID104838461
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C2CCC(C(C)C)CC2)sc1C(=O)O
InChIInChI=1S/C15H23NO2S/c1-4-12-13(15(17)18)19-14(16-12)11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyLFVSAVAOLSXDHO-UHFFFAOYSA-N
XLogP4.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 82391389
2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838235
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838437
2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360064
2-(4-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65394954
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
4-ethyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-5-carboxylic acid
CID 104838251
2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764075
2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360356
2-[cyclopropyl(3-methylbutyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 78917261
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid (CID 104838461) is 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid is CCc1nc(C2CCC(C(C)C)CC2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LFVSAVAOLSXDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-12-13(15(17)18)19-14(16-12)11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 281.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 104838461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).