2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid

C17H24N2O3S — CID 136556526

IUPAC2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCC(C(=O)N2CCC(c3ncc(C(=O)O)s3)CC2)C1
InChIInChI=1S/C17H24N2O3S/c1-11-3-2-4-13(9-11)16(20)19-7-5-12(6-8-19)15-18-10-14(23-15)17(21)22/h10-13H,2-9H2,1H3,(H,21,22)
InChIKeyNPVSZUOHDVLTDL-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.37
Rot. Bonds3

About 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid

2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 136556526) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID136556526
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCC(C(=O)N2CCC(c3ncc(C(=O)O)s3)CC2)C1
InChIInChI=1S/C17H24N2O3S/c1-11-3-2-4-13(9-11)16(20)19-7-5-12(6-8-19)15-18-10-14(23-15)17(21)22/h10-13H,2-9H2,1H3,(H,21,22)
InChIKeyNPVSZUOHDVLTDL-UHFFFAOYSA-N
XLogP3.37
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167954953
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 112680544
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556524
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556527
2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620104
N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 59679257
2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 105466008
cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405424
2-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167959146
(3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 119830387
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405349

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid (CID 136556526) is 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid is CC1CCCC(C(=O)N2CCC(c3ncc(C(=O)O)s3)CC2)C1.
What is the InChIKey of 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is NPVSZUOHDVLTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11-3-2-4-13(9-11)16(20)19-7-5-12(6-8-19)15-18-10-14(23-15)17(21)22/h10-13H,2-9H2,1H3,(H,21,22).
What are the key properties of 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 336.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 136556526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).