3-methylthieno[2,3-g][1,2]benzothiazole

C10H7NS2 — CID 3160244

IUPAC3-methylthieno[2,3-g][1,2]benzothiazole
SMILESCc1nsc2c1ccc1sccc12
InChIInChI=1S/C10H7NS2/c1-6-7-2-3-9-8(4-5-12-9)10(7)13-11-6/h2-5H,1H3
InChIKeyCBGFLTDGSWGIOX-UHFFFAOYSA-N
MW205.31 g/mol
LogP3.82
Rot. Bonds

About 3-methylthieno[2,3-g][1,2]benzothiazole

3-methylthieno[2,3-g][1,2]benzothiazole (PubChem CID 3160244) has the molecular formula C10H7NS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-methylthieno[2,3-g][1,2]benzothiazole.

Molecular Properties

Compound Name3-methylthieno[2,3-g][1,2]benzothiazole
PubChem CID3160244
Molecular FormulaC10H7NS2
Molecular Weight205.31 g/mol
Exact Mass205.00
IUPAC Name3-methylthieno[2,3-g][1,2]benzothiazole
SMILESCc1nsc2c1ccc1sccc12
InChIInChI=1S/C10H7NS2/c1-6-7-2-3-9-8(4-5-12-9)10(7)13-11-6/h2-5H,1H3
InChIKeyCBGFLTDGSWGIOX-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylthieno[2,3-g][1,2]benzothiazole?
The IUPAC name of 3-methylthieno[2,3-g][1,2]benzothiazole (CID 3160244) is 3-methylthieno[2,3-g][1,2]benzothiazole.
What is the SMILES notation for 3-methylthieno[2,3-g][1,2]benzothiazole?
The canonical SMILES for 3-methylthieno[2,3-g][1,2]benzothiazole is Cc1nsc2c1ccc1sccc12.
What is the InChIKey of 3-methylthieno[2,3-g][1,2]benzothiazole?
The InChIKey is CBGFLTDGSWGIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NS2/c1-6-7-2-3-9-8(4-5-12-9)10(7)13-11-6/h2-5H,1H3.
What are the key properties of 3-methylthieno[2,3-g][1,2]benzothiazole?
3-methylthieno[2,3-g][1,2]benzothiazole has a molecular weight of 205.31 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthieno[2,3-g][1,2]benzothiazole is sourced from PubChem (CID 3160244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).