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

C28H27Cl2N3S — CID 155567334

IUPAC4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(CN2CCC(Nc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)s3)CC2)cc1
InChIInChI=1S/C28H27Cl2N3S/c1-19-2-4-20(5-3-19)18-33-16-14-25(15-17-33)31-28-32-26(21-6-10-23(29)11-7-21)27(34-28)22-8-12-24(30)13-9-22/h2-13,25H,14-18H2,1H3,(H,31,32)
InChIKeyCKIUOHBAAOVIJX-UHFFFAOYSA-N
MW508.52 g/mol
LogP8.17
Rot. Bonds6

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

4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 155567334) has the molecular formula C28H27Cl2N3S and a molecular weight of 508.52 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID155567334
Molecular FormulaC28H27Cl2N3S
Molecular Weight508.52 g/mol
Exact Mass507.13
IUPAC Name4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(CN2CCC(Nc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)s3)CC2)cc1
InChIInChI=1S/C28H27Cl2N3S/c1-19-2-4-20(5-3-19)18-33-16-14-25(15-17-33)31-28-32-26(21-6-10-23(29)11-7-21)27(34-28)22-8-12-24(30)13-9-22/h2-13,25H,14-18H2,1H3,(H,31,32)
InChIKeyCKIUOHBAAOVIJX-UHFFFAOYSA-N
XLogP8.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.52
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-(2,4-dichlorophenyl)-3-hexyl-N-phenyl-1,3-thiazol-3-ium-2-amine chloride
CID 15945174
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-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155545649
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

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine (CID 155567334) is 4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine is Cc1ccc(CN2CCC(Nc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)s3)CC2)cc1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is CKIUOHBAAOVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3S/c1-19-2-4-20(5-3-19)18-33-16-14-25(15-17-33)31-28-32-26(21-6-10-23(29)11-7-21)27(34-28)22-8-12-24(30)13-9-22/h2-13,25H,14-18H2,1H3,(H,31,32).
What are the key properties of 4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 508.52 g/mol, XLogP of 8.17, 6 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-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155567334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).