4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine

C19H14ClN3S2 — CID 16858150

IUPAC4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCc1nc2c(SCc3ccccc3Cl)nnc(-c3ccccc3)c2s1
InChIInChI=1S/C19H14ClN3S2/c1-12-21-17-18(25-12)16(13-7-3-2-4-8-13)22-23-19(17)24-11-14-9-5-6-10-15(14)20/h2-10H,11H2,1H3
InChIKeyTYFZHQMRONQXQW-UHFFFAOYSA-N
MW383.93 g/mol
LogP6.01
Rot. Bonds4

About 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine

4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine (PubChem CID 16858150) has the molecular formula C19H14ClN3S2 and a molecular weight of 383.93 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine
PubChem CID16858150
Molecular FormulaC19H14ClN3S2
Molecular Weight383.93 g/mol
Exact Mass383.03
IUPAC Name4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCc1nc2c(SCc3ccccc3Cl)nnc(-c3ccccc3)c2s1
InChIInChI=1S/C19H14ClN3S2/c1-12-21-17-18(25-12)16(13-7-3-2-4-8-13)22-23-19(17)24-11-14-9-5-6-10-15(14)20/h2-10H,11H2,1H3
InChIKeyTYFZHQMRONQXQW-UHFFFAOYSA-N
XLogP6.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.93
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858086
2-methyl-7-phenyl-4-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,3]thiazolo[4,5-d]pyridazine
CID 16858075
N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858199
N-(3-chlorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858101
4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazine
CID 16858791
7-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-[1,3]thiazolo[4,5-d]pyridazine
CID 16858699
2-[[7-(4-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl]sulfanyl]-1-phenylethanone
CID 16858508
1-(2,6-dimethylmorpholin-4-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]ethanone
CID 16858186
N-(4-acetylphenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858115
N-(2,5-dimethylphenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858093
N-benzyl-2-[[2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-yl]sulfanyl]acetamide
CID 16858773
7-(3,4-dimethoxyphenyl)-2-methyl-4-[(4-methylphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyridazine
CID 16858646

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine (CID 16858150) is 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine is Cc1nc2c(SCc3ccccc3Cl)nnc(-c3ccccc3)c2s1.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine?
The InChIKey is TYFZHQMRONQXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3S2/c1-12-21-17-18(25-12)16(13-7-3-2-4-8-13)22-23-19(17)24-11-14-9-5-6-10-15(14)20/h2-10H,11H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine?
4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine has a molecular weight of 383.93 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine is sourced from PubChem (CID 16858150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).