4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid

C21H26N2O2S — CID 67844061

IUPAC4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(-c3ccc(C4CCNCC4)cc3)cs2)CC1
InChIInChI=1S/C21H26N2O2S/c24-21(25)18-7-5-17(6-8-18)20-23-19(13-26-20)16-3-1-14(2-4-16)15-9-11-22-12-10-15/h1-4,13,15,17-18,22H,5-12H2,(H,24,25)
InChIKeyXECYXSHKTMLCEY-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.64
Rot. Bonds4

About 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid

4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 67844061) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID67844061
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(-c3ccc(C4CCNCC4)cc3)cs2)CC1
InChIInChI=1S/C21H26N2O2S/c24-21(25)18-7-5-17(6-8-18)20-23-19(13-26-20)16-3-1-14(2-4-16)15-9-11-22-12-10-15/h1-4,13,15,17-18,22H,5-12H2,(H,24,25)
InChIKeyXECYXSHKTMLCEY-UHFFFAOYSA-N
XLogP4.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid;hydrochloride
CID 67844060
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758
4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile
CID 62540016
4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride
CID 71677757
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53037742
4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole
CID 59252377
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 62541433
2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558243

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid (CID 67844061) is 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2nc(-c3ccc(C4CCNCC4)cc3)cs2)CC1.
What is the InChIKey of 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is XECYXSHKTMLCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-21(25)18-7-5-17(6-8-18)20-23-19(13-26-20)16-3-1-14(2-4-16)15-9-11-22-12-10-15/h1-4,13,15,17-18,22H,5-12H2,(H,24,25).
What are the key properties of 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 370.52 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67844061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).