N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C16H12Cl2N4O2S — CID 24628872

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)ccc1=O
InChIInChI=1S/C16H12Cl2N4O2S/c1-22-14(23)5-4-13(21-22)15(24)20-16-19-8-11(25-16)6-9-2-3-10(17)7-12(9)18/h2-5,7-8H,6H2,1H3,(H,19,20,24)
InChIKeyVCCNXICAYYZHJH-UHFFFAOYSA-N
MW395.27 g/mol
LogP3.39
Rot. Bonds4

About N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 24628872) has the molecular formula C16H12Cl2N4O2S and a molecular weight of 395.27 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID24628872
Molecular FormulaC16H12Cl2N4O2S
Molecular Weight395.27 g/mol
Exact Mass394.01
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)ccc1=O
InChIInChI=1S/C16H12Cl2N4O2S/c1-22-14(23)5-4-13(21-22)15(24)20-16-19-8-11(25-16)6-9-2-3-10(17)7-12(9)18/h2-5,7-8H,6H2,1H3,(H,19,20,24)
InChIKeyVCCNXICAYYZHJH-UHFFFAOYSA-N
XLogP3.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 86944220
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 24628775
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 32628091
2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24647201
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607
1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 36782371
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24628808
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 24628797
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 24666723
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
CID 1187810
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134055846

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 24628872) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)ccc1=O.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VCCNXICAYYZHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2S/c1-22-14(23)5-4-13(21-22)15(24)20-16-19-8-11(25-16)6-9-2-3-10(17)7-12(9)18/h2-5,7-8H,6H2,1H3,(H,19,20,24).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 395.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24628872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).