6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one

C20H18N2O5S — CID 2848828

IUPAC6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc(-c2csc(NC3OC(=O)c4c3ccc(OC)c4OC)n2)cc1
InChIInChI=1S/C20H18N2O5S/c1-24-12-6-4-11(5-7-12)14-10-28-20(21-14)22-18-13-8-9-15(25-2)17(26-3)16(13)19(23)27-18/h4-10,18H,1-3H3,(H,21,22)
InChIKeyWAYRGHRXDAAAOU-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.12
Rot. Bonds6

About 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one

6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one (PubChem CID 2848828) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
PubChem CID2848828
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc(-c2csc(NC3OC(=O)c4c3ccc(OC)c4OC)n2)cc1
InChIInChI=1S/C20H18N2O5S/c1-24-12-6-4-11(5-7-12)14-10-28-20(21-14)22-18-13-8-9-15(25-2)17(26-3)16(13)19(23)27-18/h4-10,18H,1-3H3,(H,21,22)
InChIKeyWAYRGHRXDAAAOU-UHFFFAOYSA-N
XLogP4.12
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one with MolForge

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Related Compounds

3-(4-Biphenyl-4-yl-thiazol-2-ylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one
CID 3792553
6-Bromo-3-[2-(4,5-dimethoxy-3-oxo-1,3-dihydro-isobenzofuran-1-ylamino)-thiazol-4-yl]-chromen-2-one
CID 3839210
2,3-dimethoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670361
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
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 5084061
3-[2-(4,5-Dimethoxy-3-oxo-1,3-dihydro-isobenzofuran-1-ylamino)-thiazol-4-yl]-6-nitro-chromen-2-one
CID 5153971
N-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-methoxybenzamide
CID 5159412
6,7-Dimethoxy-3-[4-(3-nitro-phenyl)-thiazol-2-ylamino]-3H-isobenzofuran-1-one
CID 5165950
7,8-Dimethoxy-1-oxo-1h-isothiochromene-3-carboxylic acid (4-phenyl-thiazol-2-yl)-amide
CID 39836186
3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 4350120

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
The IUPAC name of 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one (CID 2848828) is 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one is COc1ccc(-c2csc(NC3OC(=O)c4c3ccc(OC)c4OC)n2)cc1.
What is the InChIKey of 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
The InChIKey is WAYRGHRXDAAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-24-12-6-4-11(5-7-12)14-10-28-20(21-14)22-18-13-8-9-15(25-2)17(26-3)16(13)19(23)27-18/h4-10,18H,1-3H3,(H,21,22).
What are the key properties of 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one has a molecular weight of 398.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 2848828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).