2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole

C12H11NS2 — CID 59782205

IUPAC2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole
SMILESCc1cc2c(s1)c(C)cc1sc(C)nc12
InChIInChI=1S/C12H11NS2/c1-6-4-10-11(13-8(3)15-10)9-5-7(2)14-12(6)9/h4-5H,1-3H3
InChIKeyDRWTXDAUNXHXDC-UHFFFAOYSA-N
MW233.36 g/mol
LogP4.44
Rot. Bonds

About 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole

2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole (PubChem CID 59782205) has the molecular formula C12H11NS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole
PubChem CID59782205
Molecular FormulaC12H11NS2
Molecular Weight233.36 g/mol
Exact Mass233.03
IUPAC Name2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole
SMILESCc1cc2c(s1)c(C)cc1sc(C)nc12
InChIInChI=1S/C12H11NS2/c1-6-4-10-11(13-8(3)15-10)9-5-7(2)14-12(6)9/h4-5H,1-3H3
InChIKeyDRWTXDAUNXHXDC-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole?
The IUPAC name of 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole (CID 59782205) is 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole is Cc1cc2c(s1)c(C)cc1sc(C)nc12.
What is the InChIKey of 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole?
The InChIKey is DRWTXDAUNXHXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS2/c1-6-4-10-11(13-8(3)15-10)9-5-7(2)14-12(6)9/h4-5H,1-3H3.
What are the key properties of 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole?
2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole has a molecular weight of 233.36 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 59782205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).