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

C15H22N2O3S — CID 167954953

IUPAC2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)CC(=O)N1CCC(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)8-12(18)17-6-4-10(5-7-17)13-16-9-11(21-13)14(19)20/h9-10H,4-8H2,1-3H3,(H,19,20)
InChIKeyPDYYZGIPAWWQOY-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.98
Rot. Bonds3

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

2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 167954953) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID167954953
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)CC(=O)N1CCC(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)8-12(18)17-6-4-10(5-7-17)13-16-9-11(21-13)14(19)20/h9-10H,4-8H2,1-3H3,(H,19,20)
InChIKeyPDYYZGIPAWWQOY-UHFFFAOYSA-N
XLogP2.98
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-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-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556526
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 112680544
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556527
N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 59679257
4-[5-(3,3-dimethylbutyliminomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 67276967
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556524
3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308176
2-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167959146
2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620104
2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 105466008
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
(2-cyclopropyl-1,3-thiazol-5-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 86891303

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid (CID 167954953) is 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid is CC(C)(C)CC(=O)N1CCC(c2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is PDYYZGIPAWWQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(2,3)8-12(18)17-6-4-10(5-7-17)13-16-9-11(21-13)14(19)20/h9-10H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid?
2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 167954953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).