6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one

C13H12N2O4S — CID 606280

IUPAC6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1nccs1
InChIInChI=1S/C13H12N2O4S/c1-17-8-4-3-7-9(10(8)18-2)12(16)19-11(7)15-13-14-5-6-20-13/h3-6,11H,1-2H3,(H,14,15)
InChIKeyTXSBJVDOYZHOBK-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.44
Rot. Bonds4

About 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one

6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one (PubChem CID 606280) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one
PubChem CID606280
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1nccs1
InChIInChI=1S/C13H12N2O4S/c1-17-8-4-3-7-9(10(8)18-2)12(16)19-11(7)15-13-14-5-6-20-13/h3-6,11H,1-2H3,(H,14,15)
InChIKeyTXSBJVDOYZHOBK-UHFFFAOYSA-N
XLogP2.44
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-Trimethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 606801
3-(4-Biphenyl-4-yl-thiazol-2-ylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one
CID 3792553
6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one
CID 658285
6,7-Dimethoxy-3-{[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}-1,3-dihydro-2-benzofuran-1-one
CID 2848828
6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-2-benzofuran-1(3H)-one
CID 2864614
3-[2-(4,5-Dimethoxy-3-oxo-1,3-dihydro-isobenzofuran-1-ylamino)-thiazol-4-yl]-chromen-2-one
CID 3758198
3-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-ylamino]-6,7-dimethoxy-3H-isobenzofuran-1-one
CID 3790826
6,7-Dimethoxy-3-[4-(3-methoxy-phenyl)-thiazol-2-ylamino]-3H-isobenzofuran-1-one
CID 3597408
2,3-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 912379
Benzoisofuran-1-one, 1,3-dihydro-6,7-dimethoxy-3-(4,5,6,7-tetrahydrobenzothiazol-2-yl)amino-
CID 606222
3-Methoxy-2-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 177642153
3-{[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
CID 4146978

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one?
The IUPAC name of 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one (CID 606280) is 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)OC2Nc1nccs1.
What is the InChIKey of 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one?
The InChIKey is TXSBJVDOYZHOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-17-8-4-3-7-9(10(8)18-2)12(16)19-11(7)15-13-14-5-6-20-13/h3-6,11H,1-2H3,(H,14,15).
What are the key properties of 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one?
6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one has a molecular weight of 292.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 606280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).