(2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C24H20N4O3S — CID 2200063

IUPAC(2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCCN1C(=O)/C(=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C24H20N4O3S/c1-3-12-27-18-7-5-4-6-16(18)19(22(27)30)20-23(31)28-24(32-20)25-21(29)17(26-28)13-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3/b20-19-
InChIKeyQTRCWJLFOFLMPU-VXPUYCOJSA-N
MW444.52 g/mol
LogP2.08
Rot. Bonds4

About (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2200063) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2200063
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name(2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCCN1C(=O)/C(=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C24H20N4O3S/c1-3-12-27-18-7-5-4-6-16(18)19(22(27)30)20-23(31)28-24(32-20)25-21(29)17(26-28)13-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3/b20-19-
InChIKeyQTRCWJLFOFLMPU-VXPUYCOJSA-N
XLogP2.08
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2200063) is (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CCCN1C(=O)/C(=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)c2ccccc21.
What is the InChIKey of (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is QTRCWJLFOFLMPU-VXPUYCOJSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-3-12-27-18-7-5-4-6-16(18)19(22(27)30)20-23(31)28-24(32-20)25-21(29)17(26-28)13-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3/b20-19-.
What are the key properties of (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 444.52 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[(4-methylphenyl)methyl]-2-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2200063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).