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

C27H23Cl3FN3S — CID 132941378

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(CN2CCC(Nc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)s3)CC2)c(Cl)c1
InChIInChI=1S/C27H23Cl3FN3S/c28-20-6-1-17(2-7-20)25-26(18-3-8-21(29)9-4-18)35-27(33-25)32-23-11-13-34(14-12-23)16-19-5-10-22(31)15-24(19)30/h1-10,15,23H,11-14,16H2,(H,32,33)
InChIKeyDCOKCSRXAPRZJS-UHFFFAOYSA-N
MW546.93 g/mol
LogP8.65
Rot. Bonds6

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

N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 132941378) has the molecular formula C27H23Cl3FN3S and a molecular weight of 546.93 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID132941378
Molecular FormulaC27H23Cl3FN3S
Molecular Weight546.93 g/mol
Exact Mass545.07
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(CN2CCC(Nc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)s3)CC2)c(Cl)c1
InChIInChI=1S/C27H23Cl3FN3S/c28-20-6-1-17(2-7-20)25-26(18-3-8-21(29)9-4-18)35-27(33-25)32-23-11-13-34(14-12-23)16-19-5-10-22(31)15-24(19)30/h1-10,15,23H,11-14,16H2,(H,32,33)
InChIKeyDCOKCSRXAPRZJS-UHFFFAOYSA-N
XLogP8.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.93
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-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

4-(2,4-dichlorophenyl)-3-hexyl-N-phenyl-1,3-thiazol-3-ium-2-amine chloride
CID 15945174
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
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
N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 155568760
3-butyl-4-(2,4-dichlorophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine chloride
CID 15945176
N-(1-benzylpiperidin-4-yl)-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
CID 155541705
N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 155545842
4,5-bis(4-chlorophenyl)-N-[[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155547375

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine (CID 132941378) is N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine is Fc1ccc(CN2CCC(Nc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)s3)CC2)c(Cl)c1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is DCOKCSRXAPRZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl3FN3S/c28-20-6-1-17(2-7-20)25-26(18-3-8-21(29)9-4-18)35-27(33-25)32-23-11-13-34(14-12-23)16-19-5-10-22(31)15-24(19)30/h1-10,15,23H,11-14,16H2,(H,32,33).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine?
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 546.93 g/mol, XLogP of 8.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 132941378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).