(E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine

C23H19F4N3O2S — CID 176955699

IUPAC(E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine
SMILESCN/C(C)=C(\c1ccc(F)cc1)c1csc(-c2c(OC(F)(F)F)[nH]c3cc(OC)ccc23)n1
InChIInChI=1S/C23H19F4N3O2S/c1-12(28-2)19(13-4-6-14(24)7-5-13)18-11-33-22(30-18)20-16-9-8-15(31-3)10-17(16)29-21(20)32-23(25,26)27/h4-11,28-29H,1-3H3/b19-12+
InChIKeyLWNVJQFWIGACMQ-XDHOZWIPSA-N
MW477.48 g/mol
LogP6.34
Rot. Bonds6

About (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine

(E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine (PubChem CID 176955699) has the molecular formula C23H19F4N3O2S and a molecular weight of 477.48 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine
PubChem CID176955699
Molecular FormulaC23H19F4N3O2S
Molecular Weight477.48 g/mol
Exact Mass477.11
IUPAC Name(E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine
SMILESCN/C(C)=C(\c1ccc(F)cc1)c1csc(-c2c(OC(F)(F)F)[nH]c3cc(OC)ccc23)n1
InChIInChI=1S/C23H19F4N3O2S/c1-12(28-2)19(13-4-6-14(24)7-5-13)18-11-33-22(30-18)20-16-9-8-15(31-3)10-17(16)29-21(20)32-23(25,26)27/h4-11,28-29H,1-3H3/b19-12+
InChIKeyLWNVJQFWIGACMQ-XDHOZWIPSA-N
XLogP6.34
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.48
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine with MolForge

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Related Compounds

6-methoxy-3-(1,3-thiazol-2-yl)-1H-indole
CID 11160579
2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-6-methoxy-1H-indole
CID 118721197
(2-{[2-(4-Methoxyphenyl)-1H-indol-3-yl]thio}ethyl)amine
CID 2049526
3,4-dimethoxy-N-[(2-methyl-1H-indol-3-yl)-(1,3-thiazol-2-yl)methyl]aniline
CID 76310294
(E)-N-[2-(6-methoxy-1H-indol-2-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 145973387
(1R)-2-(1H-indol-3-yl)-1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]ethanamine
CID 168292281
(E)-3-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 135569764
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 17600252
4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 938433
5-(5-Fluoro-1h-indol-2-yl)-4-methyl-2-(3,4,5-trimethoxyphenyl)thiazole
CID 129892339
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 2005843
(2Z)-3-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 135492187

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine?
The IUPAC name of (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine (CID 176955699) is (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine is CN/C(C)=C(\c1ccc(F)cc1)c1csc(-c2c(OC(F)(F)F)[nH]c3cc(OC)ccc23)n1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine?
The InChIKey is LWNVJQFWIGACMQ-XDHOZWIPSA-N. The full InChI is InChI=1S/C23H19F4N3O2S/c1-12(28-2)19(13-4-6-14(24)7-5-13)18-11-33-22(30-18)20-16-9-8-15(31-3)10-17(16)29-21(20)32-23(25,26)27/h4-11,28-29H,1-3H3/b19-12+.
What are the key properties of (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine?
(E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine has a molecular weight of 477.48 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-1-[2-[6-methoxy-2-(trifluoromethoxy)-1H-indol-3-yl]-1,3-thiazol-4-yl]-N-methylprop-1-en-2-amine is sourced from PubChem (CID 176955699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).