N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C22H17ClN4O2S — CID 52542267

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)nn1-c1ccccc1
InChIInChI=1S/C22H17ClN4O2S/c1-14-11-19(28)20(26-27(14)16-8-3-2-4-9-16)21(29)25-22-24-13-17(30-22)12-15-7-5-6-10-18(15)23/h2-11,13H,12H2,1H3,(H,24,25,29)
InChIKeyZLMGZFIDOUVRCH-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.49
Rot. Bonds5

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 52542267) has the molecular formula C22H17ClN4O2S and a molecular weight of 436.92 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID52542267
Molecular FormulaC22H17ClN4O2S
Molecular Weight436.92 g/mol
Exact Mass436.08
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)nn1-c1ccccc1
InChIInChI=1S/C22H17ClN4O2S/c1-14-11-19(28)20(26-27(14)16-8-3-2-4-9-16)21(29)25-22-24-13-17(30-22)12-15-7-5-6-10-18(15)23/h2-11,13H,12H2,1H3,(H,24,25,29)
InChIKeyZLMGZFIDOUVRCH-UHFFFAOYSA-N
XLogP4.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 52542267) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)nn1-c1ccccc1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is ZLMGZFIDOUVRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2S/c1-14-11-19(28)20(26-27(14)16-8-3-2-4-9-16)21(29)25-22-24-13-17(30-22)12-15-7-5-6-10-18(15)23/h2-11,13H,12H2,1H3,(H,24,25,29).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 436.92 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 52542267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).