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

C19H23N3O4S — CID 664027

IUPAC1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C2c2ccco2)s1
InChIInChI=1S/C19H23N3O4S/c1-11-18(27-12(2)20-11)16(23)14-15(13-7-5-10-26-13)22(19(25)17(14)24)9-6-8-21(3)4/h5,7,10,15,24H,6,8-9H2,1-4H3
InChIKeyBCUHKONEMCTGBS-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.88
Rot. Bonds7

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

1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 664027) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID664027
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C2c2ccco2)s1
InChIInChI=1S/C19H23N3O4S/c1-11-18(27-12(2)20-11)16(23)14-15(13-7-5-10-26-13)22(19(25)17(14)24)9-6-8-21(3)4/h5,7,10,15,24H,6,8-9H2,1-4H3
InChIKeyBCUHKONEMCTGBS-UHFFFAOYSA-N
XLogP2.88
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.88
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-(furan-2-ylcarbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3146524
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
2-[3-(Furan-2-carbonyl)-2-furan-2-yl-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 2908742
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
6-Amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2123184
methyl 2-[2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 2918116
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)-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 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (CID 664027) is 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C2c2ccco2)s1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is BCUHKONEMCTGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-11-18(27-12(2)20-11)16(23)14-15(13-7-5-10-26-13)22(19(25)17(14)24)9-6-8-21(3)4/h5,7,10,15,24H,6,8-9H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 389.48 g/mol, XLogP of 2.88, 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)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 664027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).