7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine

C17H9F4N3S2 — CID 5092376

IUPAC7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine
SMILESFc1ccc(C2=CSC3=NN=C(c4cccs4)C=C(C(F)(F)F)N23)cc1
InChIInChI=1S/C17H9F4N3S2/c18-11-5-3-10(4-6-11)13-9-26-16-23-22-12(14-2-1-7-25-14)8-15(24(13)16)17(19,20)21/h1-9H
InChIKeySQALEVJTHQOJCW-UHFFFAOYSA-N
MW395.41 g/mol
LogP5.45
Rot. Bonds2

About 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine

7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine (PubChem CID 5092376) has the molecular formula C17H9F4N3S2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine
PubChem CID5092376
Molecular FormulaC17H9F4N3S2
Molecular Weight395.41 g/mol
Exact Mass395.02
IUPAC Name7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine
SMILESFc1ccc(C2=CSC3=NN=C(c4cccs4)C=C(C(F)(F)F)N23)cc1
InChIInChI=1S/C17H9F4N3S2/c18-11-5-3-10(4-6-11)13-9-26-16-23-22-12(14-2-1-7-25-14)8-15(24(13)16)17(19,20)21/h1-9H
InChIKeySQALEVJTHQOJCW-UHFFFAOYSA-N
XLogP5.45
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine?
The IUPAC name of 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine (CID 5092376) is 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine.
What is the SMILES notation for 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine?
The canonical SMILES for 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine is Fc1ccc(C2=CSC3=NN=C(c4cccs4)C=C(C(F)(F)F)N23)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine?
The InChIKey is SQALEVJTHQOJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N3S2/c18-11-5-3-10(4-6-11)13-9-26-16-23-22-12(14-2-1-7-25-14)8-15(24(13)16)17(19,20)21/h1-9H.
What are the key properties of 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine?
7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine has a molecular weight of 395.41 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine is sourced from PubChem (CID 5092376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).