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

C30H32FN3S — CID 155550463

IUPACN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(NCC3CCN(Cc4ccc(F)cc4)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H32FN3S/c1-21-3-9-25(10-4-21)28-29(26-11-5-22(2)6-12-26)35-30(33-28)32-19-23-15-17-34(18-16-23)20-24-7-13-27(31)14-8-24/h3-14,23H,15-20H2,1-2H3,(H,32,33)
InChIKeyVRNMNLPNRFRXDM-UHFFFAOYSA-N
MW485.67 g/mol
LogP7.56
Rot. Bonds7

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

N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 155550463) has the molecular formula C30H32FN3S and a molecular weight of 485.67 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID155550463
Molecular FormulaC30H32FN3S
Molecular Weight485.67 g/mol
Exact Mass485.23
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(NCC3CCN(Cc4ccc(F)cc4)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H32FN3S/c1-21-3-9-25(10-4-21)28-29(26-11-5-22(2)6-12-26)35-30(33-28)32-19-23-15-17-34(18-16-23)20-24-7-13-27(31)14-8-24/h3-14,23H,15-20H2,1-2H3,(H,32,33)
InChIKeyVRNMNLPNRFRXDM-UHFFFAOYSA-N
XLogP7.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Di-p-tolyl-thiazol-2-ylamine
CID 2382939
4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-(1-(S)-Phenylethyl)amino-4-pyridinyl)thiazole
CID 10390073
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
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
3-benzyl-N,4-diphenyl-1,3-thiazol-3-ium-2-amine chloride
CID 12006221
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
4,5-bis(4-methylphenyl)-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155547036

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine (CID 155550463) is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2nc(NCC3CCN(Cc4ccc(F)cc4)CC3)sc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is VRNMNLPNRFRXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3S/c1-21-3-9-25(10-4-21)28-29(26-11-5-22(2)6-12-26)35-30(33-28)32-19-23-15-17-34(18-16-23)20-24-7-13-27(31)14-8-24/h3-14,23H,15-20H2,1-2H3,(H,32,33).
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine?
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 485.67 g/mol, XLogP of 7.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155550463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).