3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one

C26H24N2O3S — CID 6199123

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)C2/C=C/c2ccccc2)s1
InChIInChI=1S/C26H24N2O3S/c1-17-25(32-18(2)27-17)23(29)22-21(14-13-19-9-5-3-6-10-19)28(26(31)24(22)30)16-15-20-11-7-4-8-12-20/h3-14,21,30H,15-16H2,1-2H3/b14-13+
InChIKeyCSMSNVNOYOUCHK-BUHFOSPRSA-N
MW444.56 g/mol
LogP4.92
Rot. Bonds7

About 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one (PubChem CID 6199123) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one
PubChem CID6199123
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)C2/C=C/c2ccccc2)s1
InChIInChI=1S/C26H24N2O3S/c1-17-25(32-18(2)27-17)23(29)22-21(14-13-19-9-5-3-6-10-19)28(26(31)24(22)30)16-15-20-11-7-4-8-12-20/h3-14,21,30H,15-16H2,1-2H3/b14-13+
InChIKeyCSMSNVNOYOUCHK-BUHFOSPRSA-N
XLogP4.92
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-[(E)-2-phenylethenyl]-2H-pyrrol-5-one
CID 6199116
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-naphthalen-1-yl-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4735685
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 4735680
1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-phenylethenyl)-2H-pyrrol-5-one
CID 4733929
2-(2,4-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4735679
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
1-benzyl-2-(2,6-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735775
1-benzyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735711
2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
CID 108694932
(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-benzyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 4735724
(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
CID 40835319

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one (CID 6199123) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)C2/C=C/c2ccccc2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is CSMSNVNOYOUCHK-BUHFOSPRSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-17-25(32-18(2)27-17)23(29)22-21(14-13-19-9-5-3-6-10-19)28(26(31)24(22)30)16-15-20-11-7-4-8-12-20/h3-14,21,30H,15-16H2,1-2H3/b14-13+.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 444.56 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[(E)-2-phenylethenyl]-1-(2-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 6199123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).