N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide

C28H23Cl3FN3OS — CID 155545842

IUPACN-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1)C1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C28H23Cl3FN3OS/c29-21-6-1-17(2-7-21)25-26(18-3-8-22(30)9-4-18)37-28(33-25)34-27(36)19-11-13-35(14-12-19)16-20-5-10-23(32)15-24(20)31/h1-10,15,19H,11-14,16H2,(H,33,34,36)
InChIKeyHKCIOSFWIMKXKB-UHFFFAOYSA-N
MW574.94 g/mol
LogP8.43
Rot. Bonds6

About N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide

N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 155545842) has the molecular formula C28H23Cl3FN3OS and a molecular weight of 574.94 g/mol. Its IUPAC name is N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID155545842
Molecular FormulaC28H23Cl3FN3OS
Molecular Weight574.94 g/mol
Exact Mass573.06
IUPAC NameN-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1)C1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C28H23Cl3FN3OS/c29-21-6-1-17(2-7-21)25-26(18-3-8-22(30)9-4-18)37-28(33-25)34-27(36)19-11-13-35(14-12-19)16-20-5-10-23(32)15-24(20)31/h1-10,15,19H,11-14,16H2,(H,33,34,36)
InChIKeyHKCIOSFWIMKXKB-UHFFFAOYSA-N
XLogP8.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.94
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 155545842) is N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1)C1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HKCIOSFWIMKXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl3FN3OS/c29-21-6-1-17(2-7-21)25-26(18-3-8-22(30)9-4-18)37-28(33-25)34-27(36)19-11-13-35(14-12-19)16-20-5-10-23(32)15-24(20)31/h1-10,15,19H,11-14,16H2,(H,33,34,36).
What are the key properties of N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide?
N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 574.94 g/mol, XLogP of 8.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155545842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).