1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone

C10H9FN2O4S2 — CID 153493168

IUPAC1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone
SMILESCN1C(C(=O)CO)=CC(c2ccc(F)s2)=NS1(=O)=O
InChIInChI=1S/C10H9FN2O4S2/c1-13-7(8(15)5-14)4-6(12-19(13,16)17)9-2-3-10(11)18-9/h2-4,14H,5H2,1H3
InChIKeyLAINLSOAGDWKBL-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.31
Rot. Bonds3

About 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone

1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone (PubChem CID 153493168) has the molecular formula C10H9FN2O4S2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone
PubChem CID153493168
Molecular FormulaC10H9FN2O4S2
Molecular Weight304.32 g/mol
Exact Mass304.00
IUPAC Name1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone
SMILESCN1C(C(=O)CO)=CC(c2ccc(F)s2)=NS1(=O)=O
InChIInChI=1S/C10H9FN2O4S2/c1-13-7(8(15)5-14)4-6(12-19(13,16)17)9-2-3-10(11)18-9/h2-4,14H,5H2,1H3
InChIKeyLAINLSOAGDWKBL-UHFFFAOYSA-N
XLogP0.31
TPSA87.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone?
The IUPAC name of 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone (CID 153493168) is 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone is CN1C(C(=O)CO)=CC(c2ccc(F)s2)=NS1(=O)=O.
What is the InChIKey of 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone?
The InChIKey is LAINLSOAGDWKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O4S2/c1-13-7(8(15)5-14)4-6(12-19(13,16)17)9-2-3-10(11)18-9/h2-4,14H,5H2,1H3.
What are the key properties of 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone?
1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone has a molecular weight of 304.32 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluorothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-2-hydroxyethanone is sourced from PubChem (CID 153493168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).