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

C19H23N3O4S — CID 663820

IUPAC1-[2-(dimethylamino)ethyl]-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)N2CCN(C)C)o1
InChIInChI=1S/C19H23N3O4S/c1-10-6-7-13(26-10)15-14(16(23)18-11(2)20-12(3)27-18)17(24)19(25)22(15)9-8-21(4)5/h6-7,15,24H,8-9H2,1-5H3
InChIKeyKYHHZZPBYALQCR-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.80
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (PubChem CID 663820) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
PubChem CID663820
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[2-(dimethylamino)ethyl]-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)N2CCN(C)C)o1
InChIInChI=1S/C19H23N3O4S/c1-10-6-7-13(26-10)15-14(16(23)18-11(2)20-12(3)27-18)17(24)19(25)22(15)9-8-21(4)5/h6-7,15,24H,8-9H2,1-5H3
InChIKeyKYHHZZPBYALQCR-UHFFFAOYSA-N
XLogP2.80
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.80
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-(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
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-(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
(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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (CID 663820) is 1-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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)N2CCN(C)C)o1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The InChIKey is KYHHZZPBYALQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-10-6-7-13(26-10)15-14(16(23)18-11(2)20-12(3)27-18)17(24)19(25)22(15)9-8-21(4)5/h6-7,15,24H,8-9H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-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 389.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-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 663820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).