(7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C21H17FN4O2S — CID 1074904

IUPAC(7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1cc(C)c2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(F)cc1)CN=3)C(=O)N2
InChIInChI=1S/C21H17FN4O2S/c1-11-7-12(2)17-15(8-11)16(19(27)24-17)18-20(28)26-10-25(9-23-21(26)29-18)14-5-3-13(22)4-6-14/h3-8H,9-10H2,1-2H3,(H,24,27)/b18-16-
InChIKeyNZMWIKPNFQNLED-VLGSPTGOSA-N
MW408.46 g/mol
LogP1.87
Rot. Bonds1

About (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

(7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1074904) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1074904
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name(7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1cc(C)c2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(F)cc1)CN=3)C(=O)N2
InChIInChI=1S/C21H17FN4O2S/c1-11-7-12(2)17-15(8-11)16(19(27)24-17)18-20(28)26-10-25(9-23-21(26)29-18)14-5-3-13(22)4-6-14/h3-8H,9-10H2,1-2H3,(H,24,27)/b18-16-
InChIKeyNZMWIKPNFQNLED-VLGSPTGOSA-N
XLogP1.87
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1074904) is (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is Cc1cc(C)c2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(F)cc1)CN=3)C(=O)N2.
What is the InChIKey of (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is NZMWIKPNFQNLED-VLGSPTGOSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-11-7-12(2)17-15(8-11)16(19(27)24-17)18-20(28)26-10-25(9-23-21(26)29-18)14-5-3-13(22)4-6-14/h3-8H,9-10H2,1-2H3,(H,24,27)/b18-16-.
What are the key properties of (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 408.46 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(5,7-dimethyl-2-oxo-1H-indol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1074904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).