5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide

C10H8F2N2O2S — CID 145365458

IUPAC5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide
SMILESCNc1sc2c(F)c(O)c(F)cc2c1C(N)=O
InChIInChI=1S/C10H8F2N2O2S/c1-14-10-5(9(13)16)3-2-4(11)7(15)6(12)8(3)17-10/h2,14-15H,1H3,(H2,13,16)
InChIKeyIAPIXTXTSHJSNM-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.03
Rot. Bonds2

About 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide

5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide (PubChem CID 145365458) has the molecular formula C10H8F2N2O2S and a molecular weight of 258.25 g/mol. Its IUPAC name is 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide
PubChem CID145365458
Molecular FormulaC10H8F2N2O2S
Molecular Weight258.25 g/mol
Exact Mass258.03
IUPAC Name5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide
SMILESCNc1sc2c(F)c(O)c(F)cc2c1C(N)=O
InChIInChI=1S/C10H8F2N2O2S/c1-14-10-5(9(13)16)3-2-4(11)7(15)6(12)8(3)17-10/h2,14-15H,1H3,(H2,13,16)
InChIKeyIAPIXTXTSHJSNM-UHFFFAOYSA-N
XLogP2.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide?
The IUPAC name of 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide (CID 145365458) is 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide?
The canonical SMILES for 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide is CNc1sc2c(F)c(O)c(F)cc2c1C(N)=O.
What is the InChIKey of 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide?
The InChIKey is IAPIXTXTSHJSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2S/c1-14-10-5(9(13)16)3-2-4(11)7(15)6(12)8(3)17-10/h2,14-15H,1H3,(H2,13,16).
What are the key properties of 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide?
5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide has a molecular weight of 258.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 145365458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).