1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone

C14H13NOS2 — CID 51155292

IUPAC1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCSc2ccccc21
InChIInChI=1S/C14H13NOS2/c16-14(9-11-5-7-17-10-11)15-6-8-18-13-4-2-1-3-12(13)15/h1-5,7,10H,6,8-9H2
InChIKeyRJRNAWCIRXTFIL-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.43
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone (PubChem CID 51155292) has the molecular formula C14H13NOS2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone
PubChem CID51155292
Molecular FormulaC14H13NOS2
Molecular Weight275.40 g/mol
Exact Mass275.04
IUPAC Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCSc2ccccc21
InChIInChI=1S/C14H13NOS2/c16-14(9-11-5-7-17-10-11)15-6-8-18-13-4-2-1-3-12(13)15/h1-5,7,10H,6,8-9H2
InChIKeyRJRNAWCIRXTFIL-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 62798044
6-(2,3-dihydro-1,4-benzothiazin-4-yl)-6-oxohexanoic acid
CID 43579785
2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethoxy]acetic acid
CID 61328223
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-thiophen-2-ylethanone
CID 30933390
2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 17472513
7-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)heptan-1-one
CID 61260595
2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylamino]acetic acid
CID 43442529
3-(tert-butylamino)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 61260770
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 8891480
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-methoxyphenyl)ethanone
CID 17478657
1-(4-benzylpiperazin-1-yl)-4-(2,3-dihydro-1,4-benzothiazin-4-yl)butane-1,4-dione
CID 56560542

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone (CID 51155292) is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone?
The InChIKey is RJRNAWCIRXTFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS2/c16-14(9-11-5-7-17-10-11)15-6-8-18-13-4-2-1-3-12(13)15/h1-5,7,10H,6,8-9H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone?
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone has a molecular weight of 275.40 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 51155292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).