4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine

C28H25Cl2F2N3S — CID 155545649

IUPAC4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESFc1cc(F)cc(CN2CCC(CNc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)s3)CC2)c1
InChIInChI=1S/C28H25Cl2F2N3S/c29-22-5-1-20(2-6-22)26-27(21-3-7-23(30)8-4-21)36-28(34-26)33-16-18-9-11-35(12-10-18)17-19-13-24(31)15-25(32)14-19/h1-8,13-15,18H,9-12,16-17H2,(H,33,34)
InChIKeyAVJSOHMZQDCZLD-UHFFFAOYSA-N
MW544.50 g/mol
LogP8.39
Rot. Bonds7

About 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine

4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 155545649) has the molecular formula C28H25Cl2F2N3S and a molecular weight of 544.50 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
PubChem CID155545649
Molecular FormulaC28H25Cl2F2N3S
Molecular Weight544.50 g/mol
Exact Mass543.11
IUPAC Name4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESFc1cc(F)cc(CN2CCC(CNc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)s3)CC2)c1
InChIInChI=1S/C28H25Cl2F2N3S/c29-22-5-1-20(2-6-22)26-27(21-3-7-23(30)8-4-21)36-28(34-26)33-16-18-9-11-35(12-10-18)17-19-13-24(31)15-25(32)14-19/h1-8,13-15,18H,9-12,16-17H2,(H,33,34)
InChIKeyAVJSOHMZQDCZLD-UHFFFAOYSA-N
XLogP8.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.50
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine 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

1-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-4-phenylpiperazine
CID 1241189
N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine
CID 6710858
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
CID 132941378
N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
CID 139600209
4,5-bis(4-chlorophenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155545951
N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide
CID 155546416
4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155547036
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
CID 155550463
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
CID 155556231
4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155558235
N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 155568760
N-(1-benzylpiperidin-4-yl)-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
CID 155541705

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine (CID 155545649) is 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine is Fc1cc(F)cc(CN2CCC(CNc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)s3)CC2)c1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is AVJSOHMZQDCZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2F2N3S/c29-22-5-1-20(2-6-22)26-27(21-3-7-23(30)8-4-21)36-28(34-26)33-16-18-9-11-35(12-10-18)17-19-13-24(31)15-25(32)14-19/h1-8,13-15,18H,9-12,16-17H2,(H,33,34).
What are the key properties of 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 544.50 g/mol, XLogP of 8.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155545649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).