2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C16H12N2O2S2 — CID 51065189

IUPAC2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCSc2ccccc21
InChIInChI=1S/C16H12N2O2S2/c19-16(11-10-13(20-17-11)15-6-3-8-21-15)18-7-9-22-14-5-2-1-4-12(14)18/h1-6,8,10H,7,9H2
InChIKeyJERJDERAHQMXEL-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.16
Rot. Bonds2

About 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 51065189) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID51065189
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC Name2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCSc2ccccc21
InChIInChI=1S/C16H12N2O2S2/c19-16(11-10-13(20-17-11)15-6-3-8-21-15)18-7-9-22-14-5-2-1-4-12(14)18/h1-6,8,10H,7,9H2
InChIKeyJERJDERAHQMXEL-UHFFFAOYSA-N
XLogP4.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 51065302
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323424
[4-(2-nitrophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 51311705
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103756375
(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 80706468
2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 56782767
furan-3-yl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 32534308
(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 18133672

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 51065189) is 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is JERJDERAHQMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c19-16(11-10-13(20-17-11)15-6-3-8-21-15)18-7-9-22-14-5-2-1-4-12(14)18/h1-6,8,10H,7,9H2.
What are the key properties of 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 51065189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).