3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one

C16H11NO2S — CID 86171740

IUPAC3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one
SMILESO=C1Nc2c(ccc3ccccc23)SC1c1ccco1
InChIInChI=1S/C16H11NO2S/c18-16-15(12-6-3-9-19-12)20-13-8-7-10-4-1-2-5-11(10)14(13)17-16/h1-9,15H,(H,17,18)
InChIKeyGUUSTCIXIJFIDD-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.22
Rot. Bonds1

About 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one

3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one (PubChem CID 86171740) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one
PubChem CID86171740
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one
SMILESO=C1Nc2c(ccc3ccccc23)SC1c1ccco1
InChIInChI=1S/C16H11NO2S/c18-16-15(12-6-3-9-19-12)20-13-8-7-10-4-1-2-5-11(10)14(13)17-16/h1-9,15H,(H,17,18)
InChIKeyGUUSTCIXIJFIDD-UHFFFAOYSA-N
XLogP4.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methyl]-1H-benzo[f][1,4]benzothiazin-2-one
CID 18984411
11-(furan-2-yl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 3129754
(11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
CID 6975620
1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one
CID 139216096
(5S)-5-(furan-2-yl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
CID 792237
(5S)-5-(furan-2-yl)-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one
CID 789303
3-diethoxyphosphoryl-2-(furan-2-yl)-2,5-dihydro-1,5-benzothiazepine
CID 10618824
2-amino-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one
CID 135823116
3-amino-4-(furan-2-yl)azetidin-2-one
CID 82417177
3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one
CID 123642608
2-(1H-indol-3-yl)-4H-1,4-benzothiazin-3-one
CID 4794447
(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one
CID 131123234

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one?
The IUPAC name of 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one (CID 86171740) is 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one.
What is the SMILES notation for 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one?
The canonical SMILES for 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one is O=C1Nc2c(ccc3ccccc23)SC1c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one?
The InChIKey is GUUSTCIXIJFIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-16-15(12-6-3-9-19-12)20-13-8-7-10-4-1-2-5-11(10)14(13)17-16/h1-9,15H,(H,17,18).
What are the key properties of 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one?
3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one has a molecular weight of 281.34 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1H-benzo[f][1,4]benzothiazin-2-one is sourced from PubChem (CID 86171740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).