N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C23H16F3N5OS — CID 90467825

IUPACN-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCn1c(-c2cccc(OC(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21
InChIInChI=1S/C23H16F3N5OS/c1-31-20-8-7-16(28-22-30-19(13-33-22)15-5-3-9-27-12-15)11-18(20)29-21(31)14-4-2-6-17(10-14)32-23(24,25)26/h2-13H,1H3,(H,28,30)
InChIKeyFZNGSOXYJXBPKO-UHFFFAOYSA-N
MW467.48 g/mol
LogP6.40
Rot. Bonds5

About N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 90467825) has the molecular formula C23H16F3N5OS and a molecular weight of 467.48 g/mol. Its IUPAC name is N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID90467825
Molecular FormulaC23H16F3N5OS
Molecular Weight467.48 g/mol
Exact Mass467.10
IUPAC NameN-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCn1c(-c2cccc(OC(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21
InChIInChI=1S/C23H16F3N5OS/c1-31-20-8-7-16(28-22-30-19(13-33-22)15-5-3-9-27-12-15)11-18(20)29-21(31)14-4-2-6-17(10-14)32-23(24,25)26/h2-13H,1H3,(H,28,30)
InChIKeyFZNGSOXYJXBPKO-UHFFFAOYSA-N
XLogP6.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoethyl)-4-(3-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093436
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 667521
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877432
N-(4-Methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide
CID 2877597
4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 24789400
1-[2-[[4-[6-(3-Methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 56649566
5-N-[(3-methoxyphenyl)methyl]-2-pyrazin-2-yl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145960746
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 162673657
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 704904
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 1239380
US10202370, Example 026
CID 90466229
US10202370, Example 047
CID 90466812

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 90467825) is N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cn1c(-c2cccc(OC(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21.
What is the InChIKey of N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is FZNGSOXYJXBPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5OS/c1-31-20-8-7-16(28-22-30-19(13-33-22)15-5-3-9-27-12-15)11-18(20)29-21(31)14-4-2-6-17(10-14)32-23(24,25)26/h2-13H,1H3,(H,28,30).
What are the key properties of N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 467.48 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90467825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).