9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine

C16H14N4S — CID 21486585

IUPAC9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine
SMILESCCc1cccc2c1-n1nnnc1SC2c1ccccc1
InChIInChI=1S/C16H14N4S/c1-2-11-9-6-10-13-14(11)20-16(17-18-19-20)21-15(13)12-7-4-3-5-8-12/h3-10,15H,2H2,1H3
InChIKeyDUVWCYQVKIHONA-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.42
Rot. Bonds2

About 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine

9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine (PubChem CID 21486585) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine.

Molecular Properties

Compound Name9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine
PubChem CID21486585
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine
SMILESCCc1cccc2c1-n1nnnc1SC2c1ccccc1
InChIInChI=1S/C16H14N4S/c1-2-11-9-6-10-13-14(11)20-16(17-18-19-20)21-15(13)12-7-4-3-5-8-12/h3-10,15H,2H2,1H3
InChIKeyDUVWCYQVKIHONA-UHFFFAOYSA-N
XLogP3.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine?
The IUPAC name of 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine (CID 21486585) is 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine.
What is the SMILES notation for 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine?
The canonical SMILES for 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine is CCc1cccc2c1-n1nnnc1SC2c1ccccc1.
What is the InChIKey of 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine?
The InChIKey is DUVWCYQVKIHONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-2-11-9-6-10-13-14(11)20-16(17-18-19-20)21-15(13)12-7-4-3-5-8-12/h3-10,15H,2H2,1H3.
What are the key properties of 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine?
9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine has a molecular weight of 294.38 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-5-phenyl-5H-tetrazolo[1,5-a][3,1]benzothiazine is sourced from PubChem (CID 21486585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).