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

C31H32F3N3S — CID 155547036

IUPAC4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(NCC3CCN(Cc4ccccc4C(F)(F)F)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H32F3N3S/c1-21-7-11-24(12-8-21)28-29(25-13-9-22(2)10-14-25)38-30(36-28)35-19-23-15-17-37(18-16-23)20-26-5-3-4-6-27(26)31(32,33)34/h3-14,23H,15-20H2,1-2H3,(H,35,36)
InChIKeyGEJGLTWIEMSGMI-UHFFFAOYSA-N
MW535.68 g/mol
LogP8.44
Rot. Bonds7

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

4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 155547036) has the molecular formula C31H32F3N3S and a molecular weight of 535.68 g/mol. Its IUPAC name is 4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
PubChem CID155547036
Molecular FormulaC31H32F3N3S
Molecular Weight535.68 g/mol
Exact Mass535.23
IUPAC Name4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(NCC3CCN(Cc4ccccc4C(F)(F)F)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H32F3N3S/c1-21-7-11-24(12-8-21)28-29(25-13-9-22(2)10-14-25)38-30(36-28)35-19-23-15-17-37(18-16-23)20-26-5-3-4-6-27(26)31(32,33)34/h3-14,23H,15-20H2,1-2H3,(H,35,36)
InChIKeyGEJGLTWIEMSGMI-UHFFFAOYSA-N
XLogP8.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.68
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone
CID 9799669
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-amino-5-methylthiazole
CID 14726996
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-methylaminothiazole
CID 14727008
2-N,2-N-dimethyl-6-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine
CID 89423176
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-[[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
4-([1,1'-biphenyl]-4-yl)-N-(6-methylpyridin-2-yl)thiazol-2-amine
CID 71509513

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine (CID 155547036) is 4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine is Cc1ccc(-c2nc(NCC3CCN(Cc4ccccc4C(F)(F)F)CC3)sc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is GEJGLTWIEMSGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3S/c1-21-7-11-24(12-8-21)28-29(25-13-9-22(2)10-14-25)38-30(36-28)35-19-23-15-17-37(18-16-23)20-26-5-3-4-6-27(26)31(32,33)34/h3-14,23H,15-20H2,1-2H3,(H,35,36).
What are the key properties of 4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 535.68 g/mol, XLogP of 8.44, 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-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155547036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).