4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine

C20H17F3N4S — CID 24817246

IUPAC4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C20H17F3N4S/c1-13-6-8-14(9-7-13)16-12-28-19(26-16)24-10-11-27-17-5-3-2-4-15(17)25-18(27)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26)
InChIKeyVWCSYJRUVGYBGA-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.60
Rot. Bonds5

About 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine

4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine (PubChem CID 24817246) has the molecular formula C20H17F3N4S and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
PubChem CID24817246
Molecular FormulaC20H17F3N4S
Molecular Weight402.45 g/mol
Exact Mass402.11
IUPAC Name4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C20H17F3N4S/c1-13-6-8-14(9-7-13)16-12-28-19(26-16)24-10-11-27-17-5-3-2-4-15(17)25-18(27)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26)
InChIKeyVWCSYJRUVGYBGA-UHFFFAOYSA-N
XLogP5.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylphenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962311
2-(2-thiazol-4-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9400179
N-{4-[2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}-1,3-benzothiazol-2-amine
CID 9842708
Benzothiazol-2-yl-[4-((1S,2S)-2-dimethylamino-1-imidazol-1-yl-propyl)-phenyl]-amine
CID 9870337
1-benzyl-2-thiazol-4-yl-1H-benzoimidazole
CID 11208551
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine dihydrobromide
CID 11958912
(S)-N-(1-(1-(3-(4-(4-p-tolylthiazol-2-yl)piperazin-1-yl)propyl)-1H-benzo[d]imidazol-2-yl)ethyl)acetamide
CID 24819709
5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)-2,4-dimethylthiazole
CID 44573627
5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)-2-ethyl-4-methylthiazole
CID 44573628
4-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)-2,5-dimethylthiazole
CID 44573670
Antitumor agent-3
CID 73427118
5-(2-Methoxy-1H-benzimidazol-1-yl)-N-(phenylmethyl)thiazolo[5,4-d]pyrimidin-7-amine
CID 89928222

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine (CID 24817246) is 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine is Cc1ccc(-c2csc(NCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is VWCSYJRUVGYBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4S/c1-13-6-8-14(9-7-13)16-12-28-19(26-16)24-10-11-27-17-5-3-2-4-15(17)25-18(27)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26).
What are the key properties of 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 402.45 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24817246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).