4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid

C17H27NO2S — CID 94970667

IUPAC4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCC1CCC(c2nc(CCC)sc2C(=O)O)CC1
InChIInChI=1S/C17H27NO2S/c1-3-5-7-12-8-10-13(11-9-12)15-16(17(19)20)21-14(18-15)6-4-2/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyPYOHFVISWADNCC-UHFFFAOYSA-N
MW309.48 g/mol
LogP5.26
Rot. Bonds7

About 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid

4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 94970667) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID94970667
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCC1CCC(c2nc(CCC)sc2C(=O)O)CC1
InChIInChI=1S/C17H27NO2S/c1-3-5-7-12-8-10-13(11-9-12)15-16(17(19)20)21-14(18-15)6-4-2/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyPYOHFVISWADNCC-UHFFFAOYSA-N
XLogP5.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 63918554
4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
4-cyclopropyl-2-[(2-methoxyethylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 114358688
5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510848
4-cyclopropyl-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63966825
2-[(2-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360188
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 105471885
4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
CID 82154814
1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82437515
4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 114360258
2-[[bis(prop-2-enyl)amino]methyl]-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 82227497

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid (CID 94970667) is 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid is CCCCC1CCC(c2nc(CCC)sc2C(=O)O)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is PYOHFVISWADNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-5-7-12-8-10-13(11-9-12)15-16(17(19)20)21-14(18-15)6-4-2/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid?
4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 309.48 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).