2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone

C17H13N3O2S — CID 56782767

IUPAC2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ncon2)cc1)N1CCSc2ccccc21
InChIInChI=1S/C17H13N3O2S/c21-17(20-9-10-23-15-4-2-1-3-14(15)20)13-7-5-12(6-8-13)16-18-11-22-19-16/h1-8,11H,9-10H2
InChIKeyLVOAKTYDUKCRGI-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.49
Rot. Bonds2

About 2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone

2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 56782767) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID56782767
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ncon2)cc1)N1CCSc2ccccc21
InChIInChI=1S/C17H13N3O2S/c21-17(20-9-10-23-15-4-2-1-3-14(15)20)13-7-5-12(6-8-13)16-18-11-22-19-16/h1-8,11H,9-10H2
InChIKeyLVOAKTYDUKCRGI-UHFFFAOYSA-N
XLogP3.49
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide
CID 55555042
(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103756375
2,3-dihydro-1,4-benzothiazin-4-yl-(3,4-dimethoxyphenyl)methanone
CID 51155293
(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51257923
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
2,3-dihydro-1,4-benzothiazin-4-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998704
(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103221344
2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 51065189
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxyphenyl)methanone
CID 17497583

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 56782767) is 2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone is O=C(c1ccc(-c2ncon2)cc1)N1CCSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is LVOAKTYDUKCRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-17(20-9-10-23-15-4-2-1-3-14(15)20)13-7-5-12(6-8-13)16-18-11-22-19-16/h1-8,11H,9-10H2.
What are the key properties of 2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone?
2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 323.38 g/mol, XLogP of 3.49, 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-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 56782767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).