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

C31H35N3S — CID 155558235

IUPAC4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(NCC3CCN(Cc4ccccc4C)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H35N3S/c1-22-8-12-26(13-9-22)29-30(27-14-10-23(2)11-15-27)35-31(33-29)32-20-25-16-18-34(19-17-25)21-28-7-5-4-6-24(28)3/h4-15,25H,16-21H2,1-3H3,(H,32,33)
InChIKeyXSVXXWBXWMWODI-UHFFFAOYSA-N
MW481.71 g/mol
LogP7.73
Rot. Bonds7

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

4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 155558235) has the molecular formula C31H35N3S and a molecular weight of 481.71 g/mol. Its IUPAC name is 4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
PubChem CID155558235
Molecular FormulaC31H35N3S
Molecular Weight481.71 g/mol
Exact Mass481.26
IUPAC Name4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(NCC3CCN(Cc4ccccc4C)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H35N3S/c1-22-8-12-26(13-9-22)29-30(27-14-10-23(2)11-15-27)35-31(33-29)32-20-25-16-18-34(19-17-25)21-28-7-5-4-6-24(28)3/h4-15,25H,16-21H2,1-3H3,(H,32,33)
InChIKeyXSVXXWBXWMWODI-UHFFFAOYSA-N
XLogP7.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.71
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4,5-Di-p-tolyl-thiazol-2-ylamine
CID 2382939
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,4,5-triphenyl-1,3-thiazol-2-amine
CID 2247733
(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide
CID 23646352
4-(3,4-Dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 882224
3-benzyl-N,4-diphenyl-1,3-thiazol-3-ium-2-amine chloride
CID 12006221
1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-N-(4-phenylthiazol-2-yl)piperidin-4-amine
CID 44443831
4-naphthalen-2-yl-N-piperidin-4-yl-1,3-thiazol-2-amine
CID 137661773
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

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine (CID 155558235) is 4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine is Cc1ccc(-c2nc(NCC3CCN(Cc4ccccc4C)CC3)sc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is XSVXXWBXWMWODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3S/c1-22-8-12-26(13-9-22)29-30(27-14-10-23(2)11-15-27)35-31(33-29)32-20-25-16-18-34(19-17-25)21-28-7-5-4-6-24(28)3/h4-15,25H,16-21H2,1-3H3,(H,32,33).
What are the key properties of 4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine?
4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 481.71 g/mol, XLogP of 7.73, 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-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155558235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).