3-methylthieno[3,2-d][1,2]thiazole

C6H5NS2 — CID 12955285

IUPAC3-methylthieno[3,2-d][1,2]thiazole
SMILESCc1nsc2sccc12
InChIInChI=1S/C6H5NS2/c1-4-5-2-3-8-6(5)9-7-4/h2-3H,1H3
InChIKeyUQDFJGQAZJTPDJ-UHFFFAOYSA-N
MW155.25 g/mol
LogP2.67
Rot. Bonds

About 3-methylthieno[3,2-d][1,2]thiazole

3-methylthieno[3,2-d][1,2]thiazole (PubChem CID 12955285) has the molecular formula C6H5NS2 and a molecular weight of 155.25 g/mol. Its IUPAC name is 3-methylthieno[3,2-d][1,2]thiazole.

Molecular Properties

Compound Name3-methylthieno[3,2-d][1,2]thiazole
PubChem CID12955285
Molecular FormulaC6H5NS2
Molecular Weight155.25 g/mol
Exact Mass154.99
IUPAC Name3-methylthieno[3,2-d][1,2]thiazole
SMILESCc1nsc2sccc12
InChIInChI=1S/C6H5NS2/c1-4-5-2-3-8-6(5)9-7-4/h2-3H,1H3
InChIKeyUQDFJGQAZJTPDJ-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylthieno[3,2-d][1,2]thiazole?
The IUPAC name of 3-methylthieno[3,2-d][1,2]thiazole (CID 12955285) is 3-methylthieno[3,2-d][1,2]thiazole.
What is the SMILES notation for 3-methylthieno[3,2-d][1,2]thiazole?
The canonical SMILES for 3-methylthieno[3,2-d][1,2]thiazole is Cc1nsc2sccc12.
What is the InChIKey of 3-methylthieno[3,2-d][1,2]thiazole?
The InChIKey is UQDFJGQAZJTPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS2/c1-4-5-2-3-8-6(5)9-7-4/h2-3H,1H3.
What are the key properties of 3-methylthieno[3,2-d][1,2]thiazole?
3-methylthieno[3,2-d][1,2]thiazole has a molecular weight of 155.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthieno[3,2-d][1,2]thiazole is sourced from PubChem (CID 12955285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).