3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C20H23N3O5S — CID 665775

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccco2)s1
InChIInChI=1S/C20H23N3O5S/c1-12-19(29-13(2)21-12)17(24)15-16(14-4-3-9-28-14)23(20(26)18(15)25)6-5-22-7-10-27-11-8-22/h3-4,9,16,25H,5-8,10-11H2,1-2H3
InChIKeyBOKKPIKYPFRXIR-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.26
Rot. Bonds6

About 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 665775) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID665775
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccco2)s1
InChIInChI=1S/C20H23N3O5S/c1-12-19(29-13(2)21-12)17(24)15-16(14-4-3-9-28-14)23(20(26)18(15)25)6-5-22-7-10-27-11-8-22/h3-4,9,16,25H,5-8,10-11H2,1-2H3
InChIKeyBOKKPIKYPFRXIR-UHFFFAOYSA-N
XLogP2.26
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 665775) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccco2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is BOKKPIKYPFRXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-12-19(29-13(2)21-12)17(24)15-16(14-4-3-9-28-14)23(20(26)18(15)25)6-5-22-7-10-27-11-8-22/h3-4,9,16,25H,5-8,10-11H2,1-2H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 417.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 665775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).