5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid

C20H24N2O3S — CID 122117889

IUPAC5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)C1
InChIInChI=1S/C20H24N2O3S/c1-12(2)14-4-6-15(7-5-14)18-21-17(11-26-18)19(23)22-9-13(3)8-16(10-22)20(24)25/h4-7,11-13,16H,8-10H2,1-3H3,(H,24,25)
InChIKeyBXIAINRCZFQFPG-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.12
Rot. Bonds4

About 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid

5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid (PubChem CID 122117889) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
PubChem CID122117889
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)C1
InChIInChI=1S/C20H24N2O3S/c1-12(2)14-4-6-15(7-5-14)18-21-17(11-26-18)19(23)22-9-13(3)8-16(10-22)20(24)25/h4-7,11-13,16H,8-10H2,1-3H3,(H,24,25)
InChIKeyBXIAINRCZFQFPG-UHFFFAOYSA-N
XLogP4.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167775
1-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117917
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
(4-methylpiperidin-1-yl)-[1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 55950587
(3-aminopyrrolidin-1-yl)-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone
CID 75513720
5-methyl-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117781
ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 36710487
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354490
(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549349
4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 36758301
[4-(methylaminomethyl)piperidin-1-yl]-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119546701
(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid (CID 122117889) is 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)C1.
What is the InChIKey of 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is BXIAINRCZFQFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12(2)14-4-6-15(7-5-14)18-21-17(11-26-18)19(23)22-9-13(3)8-16(10-22)20(24)25/h4-7,11-13,16H,8-10H2,1-3H3,(H,24,25).
What are the key properties of 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 372.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122117889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).