7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole

C8H5N3S2 — CID 45077751

IUPAC7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole
SMILESCc1nc2ccc3nnsc3c2s1
InChIInChI=1S/C8H5N3S2/c1-4-9-5-2-3-6-8(7(5)12-4)13-11-10-6/h2-3H,1H3
InChIKeyOPEPXEUSQKUBLT-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.61
Rot. Bonds

About 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole

7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole (PubChem CID 45077751) has the molecular formula C8H5N3S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole.

Molecular Properties

Compound Name7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole
PubChem CID45077751
Molecular FormulaC8H5N3S2
Molecular Weight207.28 g/mol
Exact Mass206.99
IUPAC Name7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole
SMILESCc1nc2ccc3nnsc3c2s1
InChIInChI=1S/C8H5N3S2/c1-4-9-5-2-3-6-8(7(5)12-4)13-11-10-6/h2-3H,1H3
InChIKeyOPEPXEUSQKUBLT-UHFFFAOYSA-N
XLogP2.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole 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

7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole
CID 134416694
6-amino-2-methyl-1,3-benzothiazole-7-thiol
CID 45077563
6-chloro-7-fluoro-2-methyl-1,3-benzothiazole
CID 130063292
ethane;7-methyl-1,2,3-benzothiadiazole
CID 145493236
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377
7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole
CID 118344265
2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole
CID 70937598
2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
CID 134174444
(2-methyl-1,3-benzothiazol-7-yl)methanimine
CID 135395748
2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium
CID 147870543
2-methyl-4-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 176673227
6-bromo-2-methyl-1,3-benzothiazole-7-sulfonyl chloride
CID 75481572

Frequently Asked Questions

What is the IUPAC name of 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole?
The IUPAC name of 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole (CID 45077751) is 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole.
What is the SMILES notation for 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole?
The canonical SMILES for 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole is Cc1nc2ccc3nnsc3c2s1.
What is the InChIKey of 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole?
The InChIKey is OPEPXEUSQKUBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3S2/c1-4-9-5-2-3-6-8(7(5)12-4)13-11-10-6/h2-3H,1H3.
What are the key properties of 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole?
7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole has a molecular weight of 207.28 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole is sourced from PubChem (CID 45077751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).