1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol

C13H10FNO3S2 — CID 175687544

IUPAC1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol
SMILESO=S1(=O)C=C(O)c2sccc2N1Cc1cccc(F)c1
InChIInChI=1S/C13H10FNO3S2/c14-10-3-1-2-9(6-10)7-15-11-4-5-19-13(11)12(16)8-20(15,17)18/h1-6,8,16H,7H2
InChIKeyYJRFYQQJDAIEFY-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.09
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol

1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol (PubChem CID 175687544) has the molecular formula C13H10FNO3S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol
PubChem CID175687544
Molecular FormulaC13H10FNO3S2
Molecular Weight311.36 g/mol
Exact Mass311.01
IUPAC Name1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol
SMILESO=S1(=O)C=C(O)c2sccc2N1Cc1cccc(F)c1
InChIInChI=1S/C13H10FNO3S2/c14-10-3-1-2-9(6-10)7-15-11-4-5-19-13(11)12(16)8-20(15,17)18/h1-6,8,16H,7H2
InChIKeyYJRFYQQJDAIEFY-UHFFFAOYSA-N
XLogP3.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CID 135471899
4-hydroxy-1-methyl-N-(2-methylphenyl)-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CID 135476848
4-[(3-Fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one
CID 59702054
3-(2-Methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol
CID 66600064
1-(2,2-Difluoroethyl)-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol
CID 87068047
Carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol;yttrium
CID 162135480
N-(4-fluorophenyl)-5-(hydroxymethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 65735182
N-(2-fluorophenyl)-5-(hydroxymethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 65735397
N-ethyl-N-(3-fluorophenyl)-4-(hydroxymethyl)thiophene-2-sulfonamide
CID 65735535
N-ethyl-N-(3-fluorophenyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 65736305
N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylthiophene-2-sulfonamide
CID 65737103
N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylthiophene-2-sulfonamide
CID 65737696

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol (CID 175687544) is 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol is O=S1(=O)C=C(O)c2sccc2N1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol?
The InChIKey is YJRFYQQJDAIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S2/c14-10-3-1-2-9(6-10)7-15-11-4-5-19-13(11)12(16)8-20(15,17)18/h1-6,8,16H,7H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol?
1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol has a molecular weight of 311.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-ol is sourced from PubChem (CID 175687544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).