4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline

C11H9N3S — CID 146576736

IUPAC4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline
SMILESCc1c2ccncc2c(C)c2nsnc12
InChIInChI=1S/C11H9N3S/c1-6-8-3-4-12-5-9(8)7(2)11-10(6)13-15-14-11/h3-5H,1-2H3
InChIKeyXOIBTHNPTZKIKH-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.86
Rot. Bonds

About 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline

4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline (PubChem CID 146576736) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline.

Molecular Properties

Compound Name4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline
PubChem CID146576736
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline
SMILESCc1c2ccncc2c(C)c2nsnc12
InChIInChI=1S/C11H9N3S/c1-6-8-3-4-12-5-9(8)7(2)11-10(6)13-15-14-11/h3-5H,1-2H3
InChIKeyXOIBTHNPTZKIKH-UHFFFAOYSA-N
XLogP2.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dimethyl-2,8-phenanthroline
CID 139435789
8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene
CID 162284750
5,7,11-trimethyl-6H-pyrido[4,3-b]carbazole
CID 71407414
azane;5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 118981774
4,7-dimethyl-2,1,3-benzothiadiazole;ethane
CID 144533548
5-fluoro-8-methylisoquinoline
CID 125425947
ethane;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123231832
CID 171812970
CID 171812970
5-bromo-8-chloro-7-methylisoquinoline
CID 125427065
2,9-phenanthroline-5,6-diamine
CID 118108253
8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 12534759
4-chloro-1-methyl-2,6-naphthyridine
CID 177329446

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline?
The IUPAC name of 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline (CID 146576736) is 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline.
What is the SMILES notation for 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline?
The canonical SMILES for 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline is Cc1c2ccncc2c(C)c2nsnc12.
What is the InChIKey of 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline?
The InChIKey is XOIBTHNPTZKIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-6-8-3-4-12-5-9(8)7(2)11-10(6)13-15-14-11/h3-5H,1-2H3.
What are the key properties of 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline?
4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline has a molecular weight of 215.28 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline is sourced from PubChem (CID 146576736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).