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

C21H17FN4O2S — CID 1311336

IUPAC(7Z)-7-(1,5-dimethyl-2-oxoindol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(F)cc1)CN=3)C(=O)N2C
InChIInChI=1S/C21H17FN4O2S/c1-12-3-8-16-15(9-12)17(19(27)24(16)2)18-20(28)26-11-25(10-23-21(26)29-18)14-6-4-13(22)5-7-14/h3-9H,10-11H2,1-2H3/b18-17-
InChIKeyLJRGQEQPICEFOA-ZCXUNETKSA-N
MW408.46 g/mol
LogP1.59
Rot. Bonds1

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

(7Z)-7-(1,5-dimethyl-2-oxoindol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1311336) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is (7Z)-7-(1,5-dimethyl-2-oxoindol-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-(1,5-dimethyl-2-oxoindol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1311336
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name(7Z)-7-(1,5-dimethyl-2-oxoindol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(F)cc1)CN=3)C(=O)N2C
InChIInChI=1S/C21H17FN4O2S/c1-12-3-8-16-15(9-12)17(19(27)24(16)2)18-20(28)26-11-25(10-23-21(26)29-18)14-6-4-13(22)5-7-14/h3-9H,10-11H2,1-2H3/b18-17-
InChIKeyLJRGQEQPICEFOA-ZCXUNETKSA-N
XLogP1.59
TPSA57.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7Z)-7-(1,5-dimethyl-2-oxoindol-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-(1,5-dimethyl-2-oxoindol-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-(1,5-dimethyl-2-oxoindol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1311336) is (7Z)-7-(1,5-dimethyl-2-oxoindol-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-(1,5-dimethyl-2-oxoindol-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-(1,5-dimethyl-2-oxoindol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(F)cc1)CN=3)C(=O)N2C.
What is the InChIKey of (7Z)-7-(1,5-dimethyl-2-oxoindol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is LJRGQEQPICEFOA-ZCXUNETKSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-12-3-8-16-15(9-12)17(19(27)24(16)2)18-20(28)26-11-25(10-23-21(26)29-18)14-6-4-13(22)5-7-14/h3-9H,10-11H2,1-2H3/b18-17-.
What are the key properties of (7Z)-7-(1,5-dimethyl-2-oxoindol-3-ylidene)-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7Z)-7-(1,5-dimethyl-2-oxoindol-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 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(1,5-dimethyl-2-oxoindol-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 1311336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).