2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C19H11ClN4O2S — CID 5113762

IUPAC2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCN1C(=O)C(=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21
InChIInChI=1S/C19H11ClN4O2S/c1-23-13-8-3-2-7-12(13)14(17(23)25)15-18(26)24-19(27-15)21-16(22-24)10-5-4-6-11(20)9-10/h2-9H,1H3
InChIKeyFSZPEFKBKNYMTH-UHFFFAOYSA-N
MW394.84 g/mol
LogP2.37
Rot. Bonds1

About 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 5113762) has the molecular formula C19H11ClN4O2S and a molecular weight of 394.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID5113762
Molecular FormulaC19H11ClN4O2S
Molecular Weight394.84 g/mol
Exact Mass394.03
IUPAC Name2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCN1C(=O)C(=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21
InChIInChI=1S/C19H11ClN4O2S/c1-23-13-8-3-2-7-12(13)14(17(23)25)15-18(26)24-19(27-15)21-16(22-24)10-5-4-6-11(20)9-10/h2-9H,1H3
InChIKeyFSZPEFKBKNYMTH-UHFFFAOYSA-N
XLogP2.37
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 5113762) is 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CN1C(=O)C(=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is FSZPEFKBKNYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O2S/c1-23-13-8-3-2-7-12(13)14(17(23)25)15-18(26)24-19(27-15)21-16(22-24)10-5-4-6-11(20)9-10/h2-9H,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 394.84 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 5113762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).