5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol

C11H12Cl2N2O3S — CID 145365471

IUPAC5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol
SMILESCNc1sc2c(Cl)c(O)c(Cl)cc2c1C(N)=O.CO
InChIInChI=1S/C10H8Cl2N2O2S.CH4O/c1-14-10-5(9(13)16)3-2-4(11)7(15)6(12)8(3)17-10;1-2/h2,14-15H,1H3,(H2,13,16);2H,1H3
InChIKeyNWAYGPRJVIHTPM-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.66
Rot. Bonds2

About 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol

5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol (PubChem CID 145365471) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol.

Molecular Properties

Compound Name5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol
PubChem CID145365471
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol
SMILESCNc1sc2c(Cl)c(O)c(Cl)cc2c1C(N)=O.CO
InChIInChI=1S/C10H8Cl2N2O2S.CH4O/c1-14-10-5(9(13)16)3-2-4(11)7(15)6(12)8(3)17-10;1-2/h2,14-15H,1H3,(H2,13,16);2H,1H3
InChIKeyNWAYGPRJVIHTPM-UHFFFAOYSA-N
XLogP2.66
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide
CID 118975317
5,7-dichloro-2-[(3-chloro-4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 118975311
5,7-dichloro-6-hydroxy-2-[[4-(hydroxymethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 130406524
5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide
CID 145365458
2-[[4-[[acetyl(2-methylbutan-2-yl)amino]methyl]benzoyl]amino]-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide
CID 130426648
6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride
CID 69450421
7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 69449677
methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
CID 103424219
4-methyl-2-(methylamino)thiophene-3-carboxamide
CID 58799095
2-chloro-6-(methylamino)benzamide
CID 58906344
2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 70843901
4-amino-2,6-dichlorophenol;urea
CID 154637850

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol?
The IUPAC name of 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol (CID 145365471) is 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol.
What is the SMILES notation for 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol?
The canonical SMILES for 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol is CNc1sc2c(Cl)c(O)c(Cl)cc2c1C(N)=O.CO.
What is the InChIKey of 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol?
The InChIKey is NWAYGPRJVIHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S.CH4O/c1-14-10-5(9(13)16)3-2-4(11)7(15)6(12)8(3)17-10;1-2/h2,14-15H,1H3,(H2,13,16);2H,1H3.
What are the key properties of 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol?
5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol has a molecular weight of 323.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol is sourced from PubChem (CID 145365471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).