2-methylthieno[2,3-e][1,3]benzothiazol-5-ol

C10H7NOS2 — CID 613488

IUPAC2-methylthieno[2,3-e][1,3]benzothiazol-5-ol
SMILESCc1nc2c(cc(O)c3ccsc32)s1
InChIInChI=1S/C10H7NOS2/c1-5-11-9-8(14-5)4-7(12)6-2-3-13-10(6)9/h2-4,12H,1H3
InChIKeyCKCVIZASFQSRBN-UHFFFAOYSA-N
MW221.31 g/mol
LogP3.53
Rot. Bonds

About 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol

2-methylthieno[2,3-e][1,3]benzothiazol-5-ol (PubChem CID 613488) has the molecular formula C10H7NOS2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol.

Molecular Properties

Compound Name2-methylthieno[2,3-e][1,3]benzothiazol-5-ol
PubChem CID613488
Molecular FormulaC10H7NOS2
Molecular Weight221.31 g/mol
Exact Mass221.00
IUPAC Name2-methylthieno[2,3-e][1,3]benzothiazol-5-ol
SMILESCc1nc2c(cc(O)c3ccsc32)s1
InChIInChI=1S/C10H7NOS2/c1-5-11-9-8(14-5)4-7(12)6-2-3-13-10(6)9/h2-4,12H,1H3
InChIKeyCKCVIZASFQSRBN-UHFFFAOYSA-N
XLogP3.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol?
The IUPAC name of 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol (CID 613488) is 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol.
What is the SMILES notation for 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol?
The canonical SMILES for 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol is Cc1nc2c(cc(O)c3ccsc32)s1.
What is the InChIKey of 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol?
The InChIKey is CKCVIZASFQSRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS2/c1-5-11-9-8(14-5)4-7(12)6-2-3-13-10(6)9/h2-4,12H,1H3.
What are the key properties of 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol?
2-methylthieno[2,3-e][1,3]benzothiazol-5-ol has a molecular weight of 221.31 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol is sourced from PubChem (CID 613488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).