2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid

C25H26ClN3O3S — CID 141156821

IUPAC2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)C1CCCN(c2ccccc2CC(=O)O)C1
InChIInChI=1S/C25H26ClN3O3S/c1-16-22(33-25(28-16)17-8-10-20(26)11-9-17)14-27-24(32)19-6-4-12-29(15-19)21-7-3-2-5-18(21)13-23(30)31/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,27,32)(H,30,31)
InChIKeyJZOPAVFVNAGESS-UHFFFAOYSA-N
MW484.02 g/mol
LogP4.93
Rot. Bonds7

About 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid

2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid (PubChem CID 141156821) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid
PubChem CID141156821
Molecular FormulaC25H26ClN3O3S
Molecular Weight484.02 g/mol
Exact Mass483.14
IUPAC Name2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)C1CCCN(c2ccccc2CC(=O)O)C1
InChIInChI=1S/C25H26ClN3O3S/c1-16-22(33-25(28-16)17-8-10-20(26)11-9-17)14-27-24(32)19-6-4-12-29(15-19)21-7-3-2-5-18(21)13-23(30)31/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,27,32)(H,30,31)
InChIKeyJZOPAVFVNAGESS-UHFFFAOYSA-N
XLogP4.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid with MolForge

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Related Compounds

N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(2-methylphenyl)piperidine-3-carboxamide
CID 143296109
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 90546576
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 90547251
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 20965674
3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119772198
N-[(4-chlorophenyl)methyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893003
methyl 2-[3-[[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]piperidin-1-yl]benzoate
CID 58992629
9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988850
1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86263734
(3R)-N-[(4-chlorophenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085941
3-[3-[[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]amino]piperidin-1-yl]-2-methylbenzoic acid
CID 67266879
3-[(3R)-3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxymethyl]piperidin-1-yl]benzoic acid
CID 11510847

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid (CID 141156821) is 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid is Cc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)C1CCCN(c2ccccc2CC(=O)O)C1.
What is the InChIKey of 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid?
The InChIKey is JZOPAVFVNAGESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3S/c1-16-22(33-25(28-16)17-8-10-20(26)11-9-17)14-27-24(32)19-6-4-12-29(15-19)21-7-3-2-5-18(21)13-23(30)31/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,27,32)(H,30,31).
What are the key properties of 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid?
2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid has a molecular weight of 484.02 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylcarbamoyl]piperidin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 141156821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).