2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C23H18N4O3S — CID 3875195

IUPAC2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCCCN1C(=O)C(=c2sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C23H18N4O3S/c1-2-3-13-26-16-12-8-7-11-15(16)17(21(26)29)19-22(30)27-23(31-19)24-20(28)18(25-27)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
InChIKeyFNSKGQBRWYUMKF-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.24
Rot. Bonds4

About 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 3875195) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID3875195
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCCCN1C(=O)C(=c2sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C23H18N4O3S/c1-2-3-13-26-16-12-8-7-11-15(16)17(21(26)29)19-22(30)27-23(31-19)24-20(28)18(25-27)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
InChIKeyFNSKGQBRWYUMKF-UHFFFAOYSA-N
XLogP2.24
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 3875195) is 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CCCCN1C(=O)C(=c2sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21.
What is the InChIKey of 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is FNSKGQBRWYUMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c1-2-3-13-26-16-12-8-7-11-15(16)17(21(26)29)19-22(30)27-23(31-19)24-20(28)18(25-27)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3.
What are the key properties of 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 430.49 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 3875195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).