(7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C16H12FN3OS2 — CID 5421117

IUPAC(7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C/c2cccs2)sc2n1CN(c1cccc(F)c1)CN=2
InChIInChI=1S/C16H12FN3OS2/c17-11-3-1-4-12(7-11)19-9-18-16-20(10-19)15(21)14(23-16)8-13-5-2-6-22-13/h1-8H,9-10H2/b14-8-
InChIKeyYRVOAZQRXGRGLT-ZSOIEALJSA-N
MW345.42 g/mol
LogP1.99
Rot. Bonds2

About (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

(7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 5421117) has the molecular formula C16H12FN3OS2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID5421117
Molecular FormulaC16H12FN3OS2
Molecular Weight345.42 g/mol
Exact Mass345.04
IUPAC Name(7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C/c2cccs2)sc2n1CN(c1cccc(F)c1)CN=2
InChIInChI=1S/C16H12FN3OS2/c17-11-3-1-4-12(7-11)19-9-18-16-20(10-19)15(21)14(23-16)8-13-5-2-6-22-13/h1-8H,9-10H2/b14-8-
InChIKeyYRVOAZQRXGRGLT-ZSOIEALJSA-N
XLogP1.99
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 5421117) is (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is O=c1/c(=C/c2cccs2)sc2n1CN(c1cccc(F)c1)CN=2.
What is the InChIKey of (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is YRVOAZQRXGRGLT-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H12FN3OS2/c17-11-3-1-4-12(7-11)19-9-18-16-20(10-19)15(21)14(23-16)8-13-5-2-6-22-13/h1-8H,9-10H2/b14-8-.
What are the key properties of (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 345.42 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 5421117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).