2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine

C13H11NS2 — CID 57373083

IUPAC2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine
SMILESC(=C1CNc2ccccc2S1)c1cccs1
InChIInChI=1S/C13H11NS2/c1-2-6-13-12(5-1)14-9-11(16-13)8-10-4-3-7-15-10/h1-8,14H,9H2
InChIKeyUXJGBOGBCMLBCO-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.31
Rot. Bonds1

About 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine

2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine (PubChem CID 57373083) has the molecular formula C13H11NS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine
PubChem CID57373083
Molecular FormulaC13H11NS2
Molecular Weight245.37 g/mol
Exact Mass245.03
IUPAC Name2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine
SMILESC(=C1CNc2ccccc2S1)c1cccs1
InChIInChI=1S/C13H11NS2/c1-2-6-13-12(5-1)14-9-11(16-13)8-10-4-3-7-15-10/h1-8,14H,9H2
InChIKeyUXJGBOGBCMLBCO-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine?
The IUPAC name of 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine (CID 57373083) is 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine.
What is the SMILES notation for 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine?
The canonical SMILES for 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine is C(=C1CNc2ccccc2S1)c1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine?
The InChIKey is UXJGBOGBCMLBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS2/c1-2-6-13-12(5-1)14-9-11(16-13)8-10-4-3-7-15-10/h1-8,14H,9H2.
What are the key properties of 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine?
2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine has a molecular weight of 245.37 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine is sourced from PubChem (CID 57373083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).