4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine

C17H12FN3S3 — CID 16858269

IUPAC4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCc1nc2c(SCc3cccc(F)c3)nnc(-c3cccs3)c2s1
InChIInChI=1S/C17H12FN3S3/c1-10-19-15-16(24-10)14(13-6-3-7-22-13)20-21-17(15)23-9-11-4-2-5-12(18)8-11/h2-8H,9H2,1H3
InChIKeyFISNWHDAGALXEV-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.55
Rot. Bonds4

About 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine

4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine (PubChem CID 16858269) has the molecular formula C17H12FN3S3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine
PubChem CID16858269
Molecular FormulaC17H12FN3S3
Molecular Weight373.50 g/mol
Exact Mass373.02
IUPAC Name4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCc1nc2c(SCc3cccc(F)c3)nnc(-c3cccs3)c2s1
InChIInChI=1S/C17H12FN3S3/c1-10-19-15-16(24-10)14(13-6-3-7-22-13)20-21-17(15)23-9-11-4-2-5-12(18)8-11/h2-8H,9H2,1H3
InChIKeyFISNWHDAGALXEV-UHFFFAOYSA-N
XLogP5.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazine
CID 16858791
2-methyl-4-(2-phenylethylsulfanyl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine
CID 16858323
2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 16858213
N-(3-methoxyphenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858239
N-(2-methylphenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858222
2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]-N-prop-2-enylacetamide
CID 16858320
N-(1,3-benzodioxol-5-yl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858243
N-cyclopentyl-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858247
2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 16858332
1-(2,3-dihydroindol-1-yl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]ethanone
CID 16858218
3-[(3-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 1491543
5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 27461242

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
The IUPAC name of 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine (CID 16858269) is 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine.
What is the SMILES notation for 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
The canonical SMILES for 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine is Cc1nc2c(SCc3cccc(F)c3)nnc(-c3cccs3)c2s1.
What is the InChIKey of 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
The InChIKey is FISNWHDAGALXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S3/c1-10-19-15-16(24-10)14(13-6-3-7-22-13)20-21-17(15)23-9-11-4-2-5-12(18)8-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine has a molecular weight of 373.50 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine is sourced from PubChem (CID 16858269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).