1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one

C27H17Cl2FN2O3S — CID 108680562

IUPAC1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1c1ccccc1F
InChIInChI=1S/C27H17Cl2FN2O3S/c1-14-25(36-26(31-14)15-7-3-2-4-8-15)23(33)21-22(17-9-5-6-10-20(17)30)32(27(35)24(21)34)16-11-12-18(28)19(29)13-16/h2-13,22,34H,1H3
InChIKeyCAKURPGVOUGCRU-UHFFFAOYSA-N
MW539.42 g/mol
LogP7.35
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one

1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one (PubChem CID 108680562) has the molecular formula C27H17Cl2FN2O3S and a molecular weight of 539.42 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
PubChem CID108680562
Molecular FormulaC27H17Cl2FN2O3S
Molecular Weight539.42 g/mol
Exact Mass538.03
IUPAC Name1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1c1ccccc1F
InChIInChI=1S/C27H17Cl2FN2O3S/c1-14-25(36-26(31-14)15-7-3-2-4-8-15)23(33)21-22(17-9-5-6-10-20(17)30)32(27(35)24(21)34)16-11-12-18(28)19(29)13-16/h2-13,22,34H,1H3
InChIKeyCAKURPGVOUGCRU-UHFFFAOYSA-N
XLogP7.35
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.42
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108639001
1-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108679176
1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108680648
1-(3,4-difluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625358
2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108603286
1-(4-chlorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108584451
1-(3,4-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108658034
1-(3-chlorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633445
1-(4-chlorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587752
1-(3,5-dimethylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108578835
N-[3-[4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108668054
2-(4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108600735

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one (CID 108680562) is 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one is Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1c1ccccc1F.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one?
The InChIKey is CAKURPGVOUGCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2FN2O3S/c1-14-25(36-26(31-14)15-7-3-2-4-8-15)23(33)21-22(17-9-5-6-10-20(17)30)32(27(35)24(21)34)16-11-12-18(28)19(29)13-16/h2-13,22,34H,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one?
1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one has a molecular weight of 539.42 g/mol, XLogP of 7.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108680562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).