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

C24H17F4N5S — CID 121363114

IUPACN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2c(cc1Nc1nc(-c3cccnc3)cs1)nc(-c1cc(F)cc(C(F)(F)F)c1)n2C
InChIInChI=1S/C24H17F4N5S/c1-13-6-21-19(10-18(13)31-23-32-20(12-34-23)14-4-3-5-29-11-14)30-22(33(21)2)15-7-16(24(26,27)28)9-17(25)8-15/h3-12H,1-2H3,(H,31,32)
InChIKeyNPKVPEPZTJHYSG-UHFFFAOYSA-N
MW483.49 g/mol
LogP6.97
Rot. Bonds4

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

N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 121363114) has the molecular formula C24H17F4N5S and a molecular weight of 483.49 g/mol. Its IUPAC name is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID121363114
Molecular FormulaC24H17F4N5S
Molecular Weight483.49 g/mol
Exact Mass483.11
IUPAC NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2c(cc1Nc1nc(-c3cccnc3)cs1)nc(-c1cc(F)cc(C(F)(F)F)c1)n2C
InChIInChI=1S/C24H17F4N5S/c1-13-6-21-19(10-18(13)31-23-32-20(12-34-23)14-4-3-5-29-11-14)30-22(33(21)2)15-7-16(24(26,27)28)9-17(25)8-15/h3-12H,1-2H3,(H,31,32)
InChIKeyNPKVPEPZTJHYSG-UHFFFAOYSA-N
XLogP6.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-yl]-p-tolyl-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
4-[4-(4-Methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
CID 56952125
1-N,1-N-diethyl-4-methyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910631

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 121363114) is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1cc2c(cc1Nc1nc(-c3cccnc3)cs1)nc(-c1cc(F)cc(C(F)(F)F)c1)n2C.
What is the InChIKey of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is NPKVPEPZTJHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N5S/c1-13-6-21-19(10-18(13)31-23-32-20(12-34-23)14-4-3-5-29-11-14)30-22(33(21)2)15-7-16(24(26,27)28)9-17(25)8-15/h3-12H,1-2H3,(H,31,32).
What are the key properties of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 483.49 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 121363114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).