5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C19H13BrFN3OS — CID 16906313

IUPAC5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)n(Cc3ccc(Br)cc3)nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C19H13BrFN3OS/c1-11-22-17-18(26-11)16(13-4-8-15(21)9-5-13)23-24(19(17)25)10-12-2-6-14(20)7-3-12/h2-9H,10H2,1H3
InChIKeySRINNFMQQOCQNQ-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.78
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 16906313) has the molecular formula C19H13BrFN3OS and a molecular weight of 430.30 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID16906313
Molecular FormulaC19H13BrFN3OS
Molecular Weight430.30 g/mol
Exact Mass428.99
IUPAC Name5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)n(Cc3ccc(Br)cc3)nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C19H13BrFN3OS/c1-11-22-17-18(26-11)16(13-4-8-15(21)9-5-13)23-24(19(17)25)10-12-2-6-14(20)7-3-12/h2-9H,10H2,1H3
InChIKeySRINNFMQQOCQNQ-UHFFFAOYSA-N
XLogP4.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one with MolForge

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Related Compounds

5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906273
5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16905984
5-[2-(4-chlorophenyl)-2-oxoethyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906320
N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906239
2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906730
7-(4-chlorophenyl)-2-methyl-5-[(3-nitrophenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906091
2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16802305
2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16905898
N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906243
ethyl 4-[[2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetyl]amino]benzoate
CID 16906256
7-(4-chlorophenyl)-5-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 168887167
2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 16906046

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 16906313) is 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is Cc1nc2c(=O)n(Cc3ccc(Br)cc3)nc(-c3ccc(F)cc3)c2s1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is SRINNFMQQOCQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3OS/c1-11-22-17-18(26-11)16(13-4-8-15(21)9-5-13)23-24(19(17)25)10-12-2-6-14(20)7-3-12/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 430.30 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 16906313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).