5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one

C23H23N5O2S — CID 3446741

IUPAC5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(N(C)C)cc2)C(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H23N5O2S/c1-15-20(22(30)28(26(15)4)18-8-6-5-7-9-18)27-21(29)19(31-23(27)24)14-16-10-12-17(13-11-16)25(2)3/h5-14,24H,1-4H3/b19-14?,24-23-
InChIKeyHKDPPQBEFGEIKW-RCRPZYPRSA-N
MW433.54 g/mol
LogP3.61
Rot. Bonds4

About 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one

5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 3446741) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one
PubChem CID3446741
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(N(C)C)cc2)C(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H23N5O2S/c1-15-20(22(30)28(26(15)4)18-8-6-5-7-9-18)27-21(29)19(31-23(27)24)14-16-10-12-17(13-11-16)25(2)3/h5-14,24H,1-4H3/b19-14?,24-23-
InChIKeyHKDPPQBEFGEIKW-RCRPZYPRSA-N
XLogP3.61
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16636931
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16636937
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16636928
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6392025
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4755575
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633589
4-[(Z)-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 6207629
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 16633155
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 2065544
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6533008
3-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 27413449

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one (CID 3446741) is 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SC(=Cc2ccc(N(C)C)cc2)C(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is HKDPPQBEFGEIKW-RCRPZYPRSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-15-20(22(30)28(26(15)4)18-8-6-5-7-9-18)27-21(29)19(31-23(27)24)14-16-10-12-17(13-11-16)25(2)3/h5-14,24H,1-4H3/b19-14?,24-23-.
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one?
5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 433.54 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3446741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).