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

C19H16N2O4S — CID 2864614

IUPAC6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2O4S/c1-23-14-9-8-12-15(16(14)24-2)18(22)25-17(12)21-19-20-13(10-26-19)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,20,21)
InChIKeyDSUOYDGRDXFTGZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.11
Rot. Bonds5

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

6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one (PubChem CID 2864614) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one
PubChem CID2864614
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2O4S/c1-23-14-9-8-12-15(16(14)24-2)18(22)25-17(12)21-19-20-13(10-26-19)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,20,21)
InChIKeyDSUOYDGRDXFTGZ-UHFFFAOYSA-N
XLogP4.11
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one?
The IUPAC name of 6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one (CID 2864614) is 6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)OC2Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one?
The InChIKey is DSUOYDGRDXFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-23-14-9-8-12-15(16(14)24-2)18(22)25-17(12)21-19-20-13(10-26-19)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,20,21).
What are the key properties of 6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one?
6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one has a molecular weight of 368.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 2864614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).