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

C21H25N3O5S — CID 664130

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C21H25N3O5S/c1-12-4-5-15(29-12)17-16(18(25)20-13(2)22-14(3)30-20)19(26)21(27)24(17)7-6-23-8-10-28-11-9-23/h4-5,17,26H,6-11H2,1-3H3
InChIKeyYWLFUDVVYHKELX-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.57
Rot. Bonds6

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

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 664130) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID664130
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C21H25N3O5S/c1-12-4-5-15(29-12)17-16(18(25)20-13(2)22-14(3)30-20)19(26)21(27)24(17)7-6-23-8-10-28-11-9-23/h4-5,17,26H,6-11H2,1-3H3
InChIKeyYWLFUDVVYHKELX-UHFFFAOYSA-N
XLogP2.57
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1H-pyrrol-2(5H)-one
CID 661166
4-[(2,4-Dimethyl(1,3-thiazol-5-yl))carbonyl]-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-3-pyrrolin-2-one
CID 661230
1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(5-methylfuran-2-yl)-1H-pyrrol-2(5H)-one
CID 663820
ethyl 2-(3-hydroxy-5-(5-methyl-2-furyl)-2-oxo-4-(2-thienylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 4455427
4-[(2,4-Dimethyl(1,3-thiazol-5-yl))carbonyl]-3-hydroxy-5-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-3-pyrrolin-2-one
CID 661183
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 661350
1-(3-(diethylamino)propyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(furan-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one
CID 663699
4-(2,4-dimethylthiazole-5-carbonyl)-5-(furan-2-yl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
CID 665775
1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(furan-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one
CID 3879386
1-(3-(dimethylamino)propyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(furan-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one
CID 664027
1-(3-(dimethylamino)propyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(5-methylfuran-2-yl)-1H-pyrrol-2(5H)-one
CID 664768
1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-methyl-2-phenylthiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1H-pyrrol-2(5H)-one
CID 2950594

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 664130) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)o1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is YWLFUDVVYHKELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-12-4-5-15(29-12)17-16(18(25)20-13(2)22-14(3)30-20)19(26)21(27)24(17)7-6-23-8-10-28-11-9-23/h4-5,17,26H,6-11H2,1-3H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 431.51 g/mol, XLogP of 2.57, 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)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 664130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).