3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine

C18H13N3S — CID 15357980

IUPAC3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine
SMILESCc1nsc2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C18H13N3S/c1-12-15-16(13-8-4-2-5-9-13)17(14-10-6-3-7-11-14)19-20-18(15)22-21-12/h2-11H,1H3
InChIKeyJXORTAOQWYCYIN-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.73
Rot. Bonds2

About 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine

3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine (PubChem CID 15357980) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine.

Molecular Properties

Compound Name3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine
PubChem CID15357980
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC Name3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine
SMILESCc1nsc2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C18H13N3S/c1-12-15-16(13-8-4-2-5-9-13)17(14-10-6-3-7-11-14)19-20-18(15)22-21-12/h2-11H,1H3
InChIKeyJXORTAOQWYCYIN-UHFFFAOYSA-N
XLogP4.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4,5,6-triphenylpyridazine
CID 134975275
3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine
CID 129096994
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
CID 1241263
5-(4-methylphenyl)-4,6-diphenyltriazine
CID 13483660
12,13-diphenyl-8-thia-3,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine
CID 101110536
3,4,5-trimethyl-6-phenylpyridazine
CID 169124700
3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine
CID 13193722
ethyl 3,4-diphenyl-5-pyrrol-1-ylthieno[2,3-c]pyridazine-6-carboxylate
CID 6406848
4-methoxy-6,12,13-triphenyl-8-thia-3,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carbonitrile
CID 44604731
ethyl 5-amino-11,12-diphenyl-3-oxa-7-thia-9,10-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene-4-carboxylate
CID 10621778
5-chloro-3,4-diphenylpyridazine
CID 70481559
3-chloro-5-methyl-4-phenyl-1,2-thiazole
CID 57108416

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine?
The IUPAC name of 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine (CID 15357980) is 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine.
What is the SMILES notation for 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine?
The canonical SMILES for 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine is Cc1nsc2nnc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine?
The InChIKey is JXORTAOQWYCYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S/c1-12-15-16(13-8-4-2-5-9-13)17(14-10-6-3-7-11-14)19-20-18(15)22-21-12/h2-11H,1H3.
What are the key properties of 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine?
3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine has a molecular weight of 303.39 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine is sourced from PubChem (CID 15357980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).