1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

C22H17ClN4O2S — CID 36782371

IUPAC1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C22H17ClN4O2S/c23-18-9-5-4-8-16(18)12-17-13-24-22(30-17)25-21(29)19-10-11-20(28)27(26-19)14-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,25,29)
InChIKeyBZDZVINIXHNZTM-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.24
Rot. Bonds6

About 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 36782371) has the molecular formula C22H17ClN4O2S and a molecular weight of 436.92 g/mol. Its IUPAC name is 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
PubChem CID36782371
Molecular FormulaC22H17ClN4O2S
Molecular Weight436.92 g/mol
Exact Mass436.08
IUPAC Name1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C22H17ClN4O2S/c23-18-9-5-4-8-16(18)12-17-13-24-22(30-17)25-21(29)19-10-11-20(28)27(26-19)14-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,25,29)
InChIKeyBZDZVINIXHNZTM-UHFFFAOYSA-N
XLogP4.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (CID 36782371) is 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is BZDZVINIXHNZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2S/c23-18-9-5-4-8-16(18)12-17-13-24-22(30-17)25-21(29)19-10-11-20(28)27(26-19)14-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,25,29).
What are the key properties of 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 436.92 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 36782371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).