6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one

C11H9N3OS2 — CID 82486044

IUPAC6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one
SMILESNc1scnc1-c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H9N3OS2/c12-11-10(13-5-17-11)6-1-2-8-7(3-6)14-9(15)4-16-8/h1-3,5H,4,12H2,(H,14,15)
InChIKeyKPQRXPZRIBSAAK-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.44
Rot. Bonds1

About 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one

6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one (PubChem CID 82486044) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one
PubChem CID82486044
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one
SMILESNc1scnc1-c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H9N3OS2/c12-11-10(13-5-17-11)6-1-2-8-7(3-6)14-9(15)4-16-8/h1-3,5H,4,12H2,(H,14,15)
InChIKeyKPQRXPZRIBSAAK-UHFFFAOYSA-N
XLogP2.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-amino-6-methylpyrimidin-4-yl)-4H-1,4-benzothiazin-3-one
CID 96668447
7-(5-amino-1,3-thiazol-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82485094
6-(5-bromo-3-methylimidazol-4-yl)-4H-1,4-benzothiazin-3-one
CID 84605862
6-iodo-4H-1,4-benzothiazin-3-one
CID 90281504
6-(2,5-dimethylpyrazol-3-yl)-4H-1,4-benzothiazin-3-one
CID 116856790
6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
CID 82494432
6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one
CID 116947486
6-[amino(sulfanyl)methyl]-4H-1,4-benzothiazin-3-one
CID 116939513
6-[amino(hydroxy)methyl]-4H-1,4-benzothiazin-3-one
CID 116939665
6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one
CID 82494635
6-[6-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzothiazin-3-one
CID 175960589
6-(1,2-diaminopropan-2-yl)-4H-1,4-benzothiazin-3-one
CID 116855616

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one (CID 82486044) is 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one is Nc1scnc1-c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one?
The InChIKey is KPQRXPZRIBSAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c12-11-10(13-5-17-11)6-1-2-8-7(3-6)14-9(15)4-16-8/h1-3,5H,4,12H2,(H,14,15).
What are the key properties of 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one?
6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one has a molecular weight of 263.35 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 82486044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).