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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Related Compounds

7-[(dimethylamino)methyl]-2-[(4-fluorobenzoyl)amino]-6-hydroxy-N-methyl-1-benzothiophene-3-carboxamide
CID 167713855
6-Hydroxy-2-[[3-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 169489500
6-Hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 170454070
2-[(4-Fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11462092
5,7-Difluoro-6-hydroxy-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 130426687
2-[acetyl-[(2-fluorophenyl)methyl]amino]-6-hydroxy-N-methyl-1-benzothiophene-3-carboxamide
CID 162345821
2-[acetyl-[(2-fluorophenyl)methyl]amino]-7-[(dimethylamino)methyl]-6-hydroxy-N-methyl-1-benzothiophene-3-carboxamide
CID 164875522
7-[(dimethylamino)methyl]-6-hydroxy-N-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1-benzothiophene-3-carboxamide
CID 162396032
2-[(4-Tert-butylbenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 167713877
7-[(Dimethylamino)methyl]-6-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]-1-benzothiophene-3-carboxamide
CID 168010658
5-Ethyl-2-[[2-(2-fluoro-4-hydroxyphenyl)acetyl]amino]-4-propylthiophene-3-carboxamide
CID 144062169
7-hydroxy-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 155806460

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).