3-(3-methoxyphenyl)-2H-1,4-benzothiazine

C15H13NOS — CID 24905602

IUPAC3-(3-methoxyphenyl)-2H-1,4-benzothiazine
SMILESCOc1cccc(C2=Nc3ccccc3SC2)c1
InChIInChI=1S/C15H13NOS/c1-17-12-6-4-5-11(9-12)14-10-18-15-8-3-2-7-13(15)16-14/h2-9H,10H2,1H3
InChIKeyKDZUNSHZFWHSNH-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.92
Rot. Bonds2

About 3-(3-methoxyphenyl)-2H-1,4-benzothiazine

3-(3-methoxyphenyl)-2H-1,4-benzothiazine (PubChem CID 24905602) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2H-1,4-benzothiazine
PubChem CID24905602
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name3-(3-methoxyphenyl)-2H-1,4-benzothiazine
SMILESCOc1cccc(C2=Nc3ccccc3SC2)c1
InChIInChI=1S/C15H13NOS/c1-17-12-6-4-5-11(9-12)14-10-18-15-8-3-2-7-13(15)16-14/h2-9H,10H2,1H3
InChIKeyKDZUNSHZFWHSNH-UHFFFAOYSA-N
XLogP3.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2H-1,4-benzothiazine?
The IUPAC name of 3-(3-methoxyphenyl)-2H-1,4-benzothiazine (CID 24905602) is 3-(3-methoxyphenyl)-2H-1,4-benzothiazine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2H-1,4-benzothiazine?
The canonical SMILES for 3-(3-methoxyphenyl)-2H-1,4-benzothiazine is COc1cccc(C2=Nc3ccccc3SC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2H-1,4-benzothiazine?
The InChIKey is KDZUNSHZFWHSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-17-12-6-4-5-11(9-12)14-10-18-15-8-3-2-7-13(15)16-14/h2-9H,10H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-2H-1,4-benzothiazine?
3-(3-methoxyphenyl)-2H-1,4-benzothiazine has a molecular weight of 255.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2H-1,4-benzothiazine is sourced from PubChem (CID 24905602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).