2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide

C24H30N4O5S — CID 4735404

IUPAC2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)C1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C24H30N4O5S/c1-5-27(6-2)11-12-28-20(16-7-9-17(10-8-16)33-13-18(25)29)19(22(31)24(28)32)21(30)23-14(3)26-15(4)34-23/h7-10,20,31H,5-6,11-13H2,1-4H3,(H2,25,29)
InChIKeyLANQBWNYPCCRKI-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.54
Rot. Bonds11

About 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide

2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide (PubChem CID 4735404) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide
PubChem CID4735404
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)C1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C24H30N4O5S/c1-5-27(6-2)11-12-28-20(16-7-9-17(10-8-16)33-13-18(25)29)19(22(31)24(28)32)21(30)23-14(3)26-15(4)34-23/h7-10,20,31H,5-6,11-13H2,1-4H3,(H2,25,29)
InChIKeyLANQBWNYPCCRKI-UHFFFAOYSA-N
XLogP2.54
TPSA126.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-butoxyphenyl)-1-[3-(diethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735794
(2R)-2-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 28685845
2-[4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2H-pyrrol-2-yl]phenoxy]acetamide
CID 4735694
(2R)-1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 7441644
1-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735393
(2R)-2-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 28686101
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-propoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108636209
(2S)-2-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 28686160
(2R)-1-[2-(diethylamino)ethyl]-2-(2,5-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 28663738
2-(3-bromophenyl)-1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 3272996
(2R)-1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 28664028
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735374

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide (CID 4735404) is 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide is CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)C1c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide?
The InChIKey is LANQBWNYPCCRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-5-27(6-2)11-12-28-20(16-7-9-17(10-8-16)33-13-18(25)29)19(22(31)24(28)32)21(30)23-14(3)26-15(4)34-23/h7-10,20,31H,5-6,11-13H2,1-4H3,(H2,25,29).
What are the key properties of 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide?
2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide has a molecular weight of 486.59 g/mol, XLogP of 2.54, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide is sourced from PubChem (CID 4735404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).