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

C26H15ClN4O3S — CID 6527988

IUPAC(2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=C1/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc2N1Cc1ccccc1Cl
InChIInChI=1S/C26H15ClN4O3S/c27-18-12-6-4-10-16(18)14-30-19-13-7-5-11-17(19)20(24(30)33)22-25(34)31-26(35-22)28-23(32)21(29-31)15-8-2-1-3-9-15/h1-13H,14H2/b22-20-
InChIKeyCZALVQIRHHLXEH-XDOYNYLZSA-N
MW498.95 g/mol
LogP3.30
Rot. Bonds3

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

(2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 6527988) has the molecular formula C26H15ClN4O3S and a molecular weight of 498.95 g/mol. Its IUPAC name is (2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID6527988
Molecular FormulaC26H15ClN4O3S
Molecular Weight498.95 g/mol
Exact Mass498.06
IUPAC Name(2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=C1/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc2N1Cc1ccccc1Cl
InChIInChI=1S/C26H15ClN4O3S/c27-18-12-6-4-10-16(18)14-30-19-13-7-5-11-17(19)20(24(30)33)22-25(34)31-26(35-22)28-23(32)21(29-31)15-8-2-1-3-9-15/h1-13H,14H2/b22-20-
InChIKeyCZALVQIRHHLXEH-XDOYNYLZSA-N
XLogP3.30
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[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)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 6527988) is (2Z)-2-[1-[(2-chlorophenyl)methyl]-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 (2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is O=C1/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc2N1Cc1ccccc1Cl.
What is the InChIKey of (2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is CZALVQIRHHLXEH-XDOYNYLZSA-N. The full InChI is InChI=1S/C26H15ClN4O3S/c27-18-12-6-4-10-16(18)14-30-19-13-7-5-11-17(19)20(24(30)33)22-25(34)31-26(35-22)28-23(32)21(29-31)15-8-2-1-3-9-15/h1-13H,14H2/b22-20-.
What are the key properties of (2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 498.95 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 6527988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).