1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

C20H25N3O4S — CID 664768

IUPAC1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)o1
InChIInChI=1S/C20H25N3O4S/c1-11-7-8-14(27-11)16-15(17(24)19-12(2)21-13(3)28-19)18(25)20(26)23(16)10-6-9-22(4)5/h7-8,16,25H,6,9-10H2,1-5H3
InChIKeyCJVYDXRTBQAEHY-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.19
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (PubChem CID 664768) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
PubChem CID664768
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)o1
InChIInChI=1S/C20H25N3O4S/c1-11-7-8-14(27-11)16-15(17(24)19-12(2)21-13(3)28-19)18(25)20(26)23(16)10-6-9-22(4)5/h7-8,16,25H,6,9-10H2,1-5H3
InChIKeyCJVYDXRTBQAEHY-UHFFFAOYSA-N
XLogP3.19
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-Dimethyl(1,3-thiazol-5-yl))carbonyl]-3-hydroxy-5-(5-methyl(2-furyl))-1-(2-morpholin-4-ylethyl)-3-pyrrolin-2-one
CID 664130
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-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-methyl-2-phenylthiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1H-pyrrol-2(5H)-one
CID 2950594
(4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
CID 2926519
5-(4-(allyloxy)phenyl)-1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-one
CID 3307434
1-(3-(diethylamino)propyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(5-methylfuran-2-yl)-1H-pyrrol-2(5H)-one
CID 664481
N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 45823265

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (CID 664768) is 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)o1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The InChIKey is CJVYDXRTBQAEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-11-7-8-14(27-11)16-15(17(24)19-12(2)21-13(3)28-19)18(25)20(26)23(16)10-6-9-22(4)5/h7-8,16,25H,6,9-10H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one has a molecular weight of 403.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 664768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).