[2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine

C19H15F3N4OS — CID 122516241

IUPAC[2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2ccn3Cc2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C19H15F3N4OS/c20-19(21,22)18-25-10-13(28-18)11-26-7-5-14-15(26)2-1-3-16(14)27-17-8-12(9-23)4-6-24-17/h1-8,10H,9,11,23H2
InChIKeySFVZWPVUVJZYEV-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.81
Rot. Bonds5

About [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine

[2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine (PubChem CID 122516241) has the molecular formula C19H15F3N4OS and a molecular weight of 404.42 g/mol. Its IUPAC name is [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine
PubChem CID122516241
Molecular FormulaC19H15F3N4OS
Molecular Weight404.42 g/mol
Exact Mass404.09
IUPAC Name[2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2ccn3Cc2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C19H15F3N4OS/c20-19(21,22)18-25-10-13(28-18)11-26-7-5-14-15(26)2-1-3-16(14)27-17-8-12(9-23)4-6-24-17/h1-8,10H,9,11,23H2
InChIKeySFVZWPVUVJZYEV-UHFFFAOYSA-N
XLogP4.81
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine (CID 122516241) is [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine is NCc1ccnc(Oc2cccc3c2ccn3Cc2cnc(C(F)(F)F)s2)c1.
What is the InChIKey of [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine?
The InChIKey is SFVZWPVUVJZYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4OS/c20-19(21,22)18-25-10-13(28-18)11-26-7-5-14-15(26)2-1-3-16(14)27-17-8-12(9-23)4-6-24-17/h1-8,10H,9,11,23H2.
What are the key properties of [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine?
[2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine has a molecular weight of 404.42 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]indol-4-yl]oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 122516241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).