(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one

C25H23N3O3S — CID 27566868

IUPAC(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2cc([C@@H]3SCC(=O)N3c3c(C)n(C)n(-c4ccccc4)c3=O)ccc2c1
InChIInChI=1S/C25H23N3O3S/c1-16-23(24(30)28(26(16)2)20-7-5-4-6-8-20)27-22(29)15-32-25(27)19-10-9-18-14-21(31-3)12-11-17(18)13-19/h4-14,25H,15H2,1-3H3/t25-/m0/s1
InChIKeyINWDQMBAKVXUEL-VWLOTQADSA-N
MW445.54 g/mol
LogP4.42
Rot. Bonds4

About (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one

(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one (PubChem CID 27566868) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one
PubChem CID27566868
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2cc([C@@H]3SCC(=O)N3c3c(C)n(C)n(-c4ccccc4)c3=O)ccc2c1
InChIInChI=1S/C25H23N3O3S/c1-16-23(24(30)28(26(16)2)20-7-5-4-6-8-20)27-22(29)15-32-25(27)19-10-9-18-14-21(31-3)12-11-17(18)13-19/h4-14,25H,15H2,1-3H3/t25-/m0/s1
InChIKeyINWDQMBAKVXUEL-VWLOTQADSA-N
XLogP4.42
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one
CID 11842542
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274924
2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 11842533
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
(2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one
CID 27566711
3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3445359
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 171977842
3-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842579
2-(4-methoxyphenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 10069584
(2S,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3,4-dimethylphenyl)-5-methyl-1,3-thiazolidin-4-one
CID 27566757

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one (CID 27566868) is (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one is COc1ccc2cc([C@@H]3SCC(=O)N3c3c(C)n(C)n(-c4ccccc4)c3=O)ccc2c1.
What is the InChIKey of (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is INWDQMBAKVXUEL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-16-23(24(30)28(26(16)2)20-7-5-4-6-8-20)27-22(29)15-32-25(27)19-10-9-18-14-21(31-3)12-11-17(18)13-19/h4-14,25H,15H2,1-3H3/t25-/m0/s1.
What are the key properties of (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one?
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 445.54 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 27566868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).