4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one

C32H27Cl3N6OS2 — CID 158071375

IUPAC4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one
SMILESCc1nc(-c2c(-c3ccc(Cl)cc3)c(C)n[nH]c2=O)c(C)s1.Cc1nc(-c2c(Cl)nnc(C)c2-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C16H13Cl2N3S.C16H14ClN3OS/c1-8-13(11-4-6-12(17)7-5-11)14(16(18)21-20-8)15-9(2)22-10(3)19-15;1-8-13(11-4-6-12(17)7-5-11)14(16(21)20-19-8)15-9(2)22-10(3)18-15/h4-7H,1-3H3;4-7H,1-3H3,(H,20,21)
InChIKeyFLWAAJRPRAGFIS-UHFFFAOYSA-N
MW682.10 g/mol
LogP9.64
Rot. Bonds4

About 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one

4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one (PubChem CID 158071375) has the molecular formula C32H27Cl3N6OS2 and a molecular weight of 682.10 g/mol. Its IUPAC name is 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one
PubChem CID158071375
Molecular FormulaC32H27Cl3N6OS2
Molecular Weight682.10 g/mol
Exact Mass680.08
IUPAC Name4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one
SMILESCc1nc(-c2c(-c3ccc(Cl)cc3)c(C)n[nH]c2=O)c(C)s1.Cc1nc(-c2c(Cl)nnc(C)c2-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C16H13Cl2N3S.C16H14ClN3OS/c1-8-13(11-4-6-12(17)7-5-11)14(16(18)21-20-8)15-9(2)22-10(3)19-15;1-8-13(11-4-6-12(17)7-5-11)14(16(21)20-19-8)15-9(2)22-10(3)18-15/h4-7H,1-3H3;4-7H,1-3H3,(H,20,21)
InChIKeyFLWAAJRPRAGFIS-UHFFFAOYSA-N
XLogP9.64
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.10
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one with MolForge

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Related Compounds

[5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
CID 160958023
3-(4-chlorophenyl)-6-methyl-4H-1,2,4-triazin-5-one
CID 135472873
3-chloro-5-[4-(4-chlorophenyl)sulfanylphenyl]-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 87511139
3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one
CID 14666394
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889882
5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole
CID 28710033
4-(4-chlorophenyl)-2,5-dimethyl-1,3-benzothiazole
CID 174756251
2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065001
4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate
CID 172929120
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445739
4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
CID 176575416

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one (CID 158071375) is 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one is Cc1nc(-c2c(-c3ccc(Cl)cc3)c(C)n[nH]c2=O)c(C)s1.Cc1nc(-c2c(Cl)nnc(C)c2-c2ccc(Cl)cc2)c(C)s1.
What is the InChIKey of 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is FLWAAJRPRAGFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3S.C16H14ClN3OS/c1-8-13(11-4-6-12(17)7-5-11)14(16(18)21-20-8)15-9(2)22-10(3)19-15;1-8-13(11-4-6-12(17)7-5-11)14(16(21)20-19-8)15-9(2)22-10(3)18-15/h4-7H,1-3H3;4-7H,1-3H3,(H,20,21).
What are the key properties of 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one?
4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 682.10 g/mol, XLogP of 9.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 158071375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).