2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one

C17H10Cl2N4OS — CID 6618919

IUPAC2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one
SMILESO=c1c(Cl)c(Nc2cccc(Cl)c2)cnn1-c1nc2ccccc2s1
InChIInChI=1S/C17H10Cl2N4OS/c18-10-4-3-5-11(8-10)21-13-9-20-23(16(24)15(13)19)17-22-12-6-1-2-7-14(12)25-17/h1-9,21H
InChIKeyZPAQVLXAJFIGMV-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.89
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one

2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one (PubChem CID 6618919) has the molecular formula C17H10Cl2N4OS and a molecular weight of 389.27 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one
PubChem CID6618919
Molecular FormulaC17H10Cl2N4OS
Molecular Weight389.27 g/mol
Exact Mass388.00
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one
SMILESO=c1c(Cl)c(Nc2cccc(Cl)c2)cnn1-c1nc2ccccc2s1
InChIInChI=1S/C17H10Cl2N4OS/c18-10-4-3-5-11(8-10)21-13-9-20-23(16(24)15(13)19)17-22-12-6-1-2-7-14(12)25-17/h1-9,21H
InChIKeyZPAQVLXAJFIGMV-UHFFFAOYSA-N
XLogP4.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one (CID 6618919) is 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one is O=c1c(Cl)c(Nc2cccc(Cl)c2)cnn1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one?
The InChIKey is ZPAQVLXAJFIGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4OS/c18-10-4-3-5-11(8-10)21-13-9-20-23(16(24)15(13)19)17-22-12-6-1-2-7-14(12)25-17/h1-9,21H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one?
2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one has a molecular weight of 389.27 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one is sourced from PubChem (CID 6618919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).