1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one

C23H20N2O6S — CID 71055321

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc2c1OC(C(=O)C1=C(O)C(=O)N(c3nc(C)c(C)s3)C1c1ccco1)C2
InChIInChI=1S/C23H20N2O6S/c1-11-12(2)32-23(24-11)25-18(14-8-5-9-30-14)17(20(27)22(25)28)19(26)16-10-13-6-4-7-15(29-3)21(13)31-16/h4-9,16,18,27H,10H2,1-3H3
InChIKeyJNKCFLBWTWZUQS-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.83
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 71055321) has the molecular formula C23H20N2O6S and a molecular weight of 452.49 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID71055321
Molecular FormulaC23H20N2O6S
Molecular Weight452.49 g/mol
Exact Mass452.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc2c1OC(C(=O)C1=C(O)C(=O)N(c3nc(C)c(C)s3)C1c1ccco1)C2
InChIInChI=1S/C23H20N2O6S/c1-11-12(2)32-23(24-11)25-18(14-8-5-9-30-14)17(20(27)22(25)28)19(26)16-10-13-6-4-7-15(29-3)21(13)31-16/h4-9,16,18,27H,10H2,1-3H3
InChIKeyJNKCFLBWTWZUQS-UHFFFAOYSA-N
XLogP3.83
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one (CID 71055321) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one is COc1cccc2c1OC(C(=O)C1=C(O)C(=O)N(c3nc(C)c(C)s3)C1c1ccco1)C2.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is JNKCFLBWTWZUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6S/c1-11-12(2)32-23(24-11)25-18(14-8-5-9-30-14)17(20(27)22(25)28)19(26)16-10-13-6-4-7-15(29-3)21(13)31-16/h4-9,16,18,27H,10H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 452.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-2,3-dihydro-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 71055321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).