4H-1,4-benzothiazine

C8H7NS — CID 12805862

IUPAC4H-1,4-benzothiazine
SMILESC1=CSc2ccccc2N1
InChIInChI=1S/C8H7NS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6,9H
InChIKeyZLILRRGWBOKBIG-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.68
Rot. Bonds

About 4H-1,4-benzothiazine

4H-1,4-benzothiazine (PubChem CID 12805862) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 4H-1,4-benzothiazine.

Molecular Properties

Compound Name4H-1,4-benzothiazine
PubChem CID12805862
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name4H-1,4-benzothiazine
SMILESC1=CSc2ccccc2N1
InChIInChI=1S/C8H7NS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6,9H
InChIKeyZLILRRGWBOKBIG-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4H-1,4-benzothiazepine-5-thione
CID 11446858
5H-1,5-benzothiazepin-4-one;oxalic acid
CID 160948654
copper;10H-phenothiazine;hydrochloride
CID 70634229
1,4-dihydroquinoline;hydrochloride
CID 70537011
ethane;10H-phenothiazine
CID 90730014
1H-1,4-benzodiazepine;trihydrochloride
CID 172746749
1H-1,4-benzodiazepine;hydrochloride
CID 23317235
3-amino-5H-1,5-benzothiazepin-4-one
CID 70506908
2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine
CID 69165458
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
10H-phenothiazine;2H-thiazine
CID 141410254
1-(4H-1,4-benzothiazin-2-yl)ethanone
CID 12856340

Frequently Asked Questions

What is the IUPAC name of 4H-1,4-benzothiazine?
The IUPAC name of 4H-1,4-benzothiazine (CID 12805862) is 4H-1,4-benzothiazine.
What is the SMILES notation for 4H-1,4-benzothiazine?
The canonical SMILES for 4H-1,4-benzothiazine is C1=CSc2ccccc2N1.
What is the InChIKey of 4H-1,4-benzothiazine?
The InChIKey is ZLILRRGWBOKBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6,9H.
What are the key properties of 4H-1,4-benzothiazine?
4H-1,4-benzothiazine has a molecular weight of 149.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,4-benzothiazine is sourced from PubChem (CID 12805862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).