4H-1,3-benzothiazine

C8H7NS — CID 54177456

IUPAC4H-1,3-benzothiazine
SMILESC1=NCc2ccccc2S1
InChIInChI=1S/C8H7NS/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6H,5H2
InChIKeyOZKJZYPVNPFPSU-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.32
Rot. Bonds

About 4H-1,3-benzothiazine

4H-1,3-benzothiazine (PubChem CID 54177456) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 4H-1,3-benzothiazine.

Molecular Properties

Compound Name4H-1,3-benzothiazine
PubChem CID54177456
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name4H-1,3-benzothiazine
SMILESC1=NCc2ccccc2S1
InChIInChI=1S/C8H7NS/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6H,5H2
InChIKeyOZKJZYPVNPFPSU-UHFFFAOYSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Formamidine, N'-4-(4H-1-benzothiopyranyl)-N,N-dimethyl-
CID 58278
Tetrafluoro 4h benzo[e][1,3]thiazin
CID 129815557
Trifluoro 4h benzo[e][1,3]thiazin
CID 129815569
N,N-Dimethyl-1-[2-(methylsulfanyl)phenyl]methanamine
CID 12612618
2-phenyl-4H-1,3-benzothiazine
CID 14510107
1,3-Benzothiazine
CID 18989167
1,3-Benzothiazepine
CID 57426275
3,4-Dihydro-2h-1,3-benzothiazine-2-imine
CID 68481046
6-fluoro-2-methyl-4H-1,3-benzothiazine
CID 144061199
2-Allylsulfanyl-benzylamine
CID 15326773
ethyl N-benzylmethanimidothioate
CID 15012367
N-benzyl-1-phenylsulfanylmethanimidoyl chloride
CID 15650988

Frequently Asked Questions

What is the IUPAC name of 4H-1,3-benzothiazine?
The IUPAC name of 4H-1,3-benzothiazine (CID 54177456) is 4H-1,3-benzothiazine.
What is the SMILES notation for 4H-1,3-benzothiazine?
The canonical SMILES for 4H-1,3-benzothiazine is C1=NCc2ccccc2S1.
What is the InChIKey of 4H-1,3-benzothiazine?
The InChIKey is OZKJZYPVNPFPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6H,5H2.
What are the key properties of 4H-1,3-benzothiazine?
4H-1,3-benzothiazine has a molecular weight of 149.22 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,3-benzothiazine is sourced from PubChem (CID 54177456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).