N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine

C24H18F3N5S — CID 90467684

IUPACN-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1cc2c(cc1Nc1nc(-c3ccncc3)cs1)nc(-c1cccc(C(F)(F)F)c1)n2C
InChIInChI=1S/C24H18F3N5S/c1-14-10-21-19(29-22(32(21)2)16-4-3-5-17(11-16)24(25,26)27)12-18(14)30-23-31-20(13-33-23)15-6-8-28-9-7-15/h3-13H,1-2H3,(H,30,31)
InChIKeyZYFUQUPIQPDZKL-UHFFFAOYSA-N
MW465.50 g/mol
LogP6.83
Rot. Bonds4

About N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine

N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 90467684) has the molecular formula C24H18F3N5S and a molecular weight of 465.50 g/mol. Its IUPAC name is N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID90467684
Molecular FormulaC24H18F3N5S
Molecular Weight465.50 g/mol
Exact Mass465.12
IUPAC NameN-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1cc2c(cc1Nc1nc(-c3ccncc3)cs1)nc(-c1cccc(C(F)(F)F)c1)n2C
InChIInChI=1S/C24H18F3N5S/c1-14-10-21-19(29-22(32(21)2)16-4-3-5-17(11-16)24(25,26)27)12-18(14)30-23-31-20(13-33-23)15-6-8-28-9-7-15/h3-13H,1-2H3,(H,30,31)
InChIKeyZYFUQUPIQPDZKL-UHFFFAOYSA-N
XLogP6.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_M(1)', 'substructure': 'N/A'}

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Related Compounds

2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-
CID 46853593
7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
7-[5,6-Dimethyl-2-(1,3-Thiazol-4-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 72771095
7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2898055
N~1~-[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-N~4~,N~4~-dimethyl-1,4-benzenediamine
CID 1068724
7-Thiazol-2-yl-5-trifluoromethyl-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1H-benzoimidazole
CID 10458572
4-thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11498144
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine dihydrobromide
CID 11958912
N2-(2,6-dimethylphenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883004
N2-o-tolyl-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569642
N-[5-[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 49838746

Frequently Asked Questions

What is the IUPAC name of N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 90467684) is N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine is Cc1cc2c(cc1Nc1nc(-c3ccncc3)cs1)nc(-c1cccc(C(F)(F)F)c1)n2C.
What is the InChIKey of N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is ZYFUQUPIQPDZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5S/c1-14-10-21-19(29-22(32(21)2)16-4-3-5-17(11-16)24(25,26)27)12-18(14)30-23-31-20(13-33-23)15-6-8-28-9-7-15/h3-13H,1-2H3,(H,30,31).
What are the key properties of N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 465.50 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,6-dimethyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90467684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).