4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid

C32H30ClN3O5S — CID 143452169

IUPAC4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid
SMILESCC(C)c1nc(C(=O)Nc2ccc(Cl)c(C(=O)N3CCC(Oc4ccc(C(=O)O)cc4)CC3)c2)c(-c2ccccc2)s1
InChIInChI=1S/C32H30ClN3O5S/c1-19(2)30-35-27(28(42-30)20-6-4-3-5-7-20)29(37)34-22-10-13-26(33)25(18-22)31(38)36-16-14-24(15-17-36)41-23-11-8-21(9-12-23)32(39)40/h3-13,18-19,24H,14-17H2,1-2H3,(H,34,37)(H,39,40)
InChIKeyOLLARBDXMGDEOD-UHFFFAOYSA-N
MW604.13 g/mol
LogP7.22
Rot. Bonds8

About 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid

4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid (PubChem CID 143452169) has the molecular formula C32H30ClN3O5S and a molecular weight of 604.13 g/mol. Its IUPAC name is 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid
PubChem CID143452169
Molecular FormulaC32H30ClN3O5S
Molecular Weight604.13 g/mol
Exact Mass603.16
IUPAC Name4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid
SMILESCC(C)c1nc(C(=O)Nc2ccc(Cl)c(C(=O)N3CCC(Oc4ccc(C(=O)O)cc4)CC3)c2)c(-c2ccccc2)s1
InChIInChI=1S/C32H30ClN3O5S/c1-19(2)30-35-27(28(42-30)20-6-4-3-5-7-20)29(37)34-22-10-13-26(33)25(18-22)31(38)36-16-14-24(15-17-36)41-23-11-8-21(9-12-23)32(39)40/h3-13,18-19,24H,14-17H2,1-2H3,(H,34,37)(H,39,40)
InChIKeyOLLARBDXMGDEOD-UHFFFAOYSA-N
XLogP7.22
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.13
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic 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-chloro-5-[(2-cyclopropyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 143452097
N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854642
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 166338864
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104891
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 67169320
N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide
CID 119376974
2-methyl-4-[[4-(oxan-4-yloxy)benzoyl]amino]benzoic acid
CID 119240450
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 166338837
N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 119376973
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid?
The IUPAC name of 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid (CID 143452169) is 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid.
What is the SMILES notation for 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid?
The canonical SMILES for 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid is CC(C)c1nc(C(=O)Nc2ccc(Cl)c(C(=O)N3CCC(Oc4ccc(C(=O)O)cc4)CC3)c2)c(-c2ccccc2)s1.
What is the InChIKey of 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid?
The InChIKey is OLLARBDXMGDEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN3O5S/c1-19(2)30-35-27(28(42-30)20-6-4-3-5-7-20)29(37)34-22-10-13-26(33)25(18-22)31(38)36-16-14-24(15-17-36)41-23-11-8-21(9-12-23)32(39)40/h3-13,18-19,24H,14-17H2,1-2H3,(H,34,37)(H,39,40).
What are the key properties of 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid?
4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid has a molecular weight of 604.13 g/mol, XLogP of 7.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-chloro-5-[(5-phenyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoyl]piperidin-4-yl]oxybenzoic acid is sourced from PubChem (CID 143452169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).