(5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one

C16H13F3N4OS — CID 122196321

IUPAC(5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2cnn(-c3ccccc3C(F)(F)F)c2)C(=O)N1C
InChIInChI=1S/C16H13F3N4OS/c1-20-15-22(2)14(24)13(25-15)7-10-8-21-23(9-10)12-6-4-3-5-11(12)16(17,18)19/h3-9H,1-2H3/b13-7-,20-15+
InChIKeyKYFWXSAQLMWVNU-BUSRTVQZSA-N
MW366.37 g/mol
LogP3.42
Rot. Bonds2

About (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one

(5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 122196321) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID122196321
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name(5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2cnn(-c3ccccc3C(F)(F)F)c2)C(=O)N1C
InChIInChI=1S/C16H13F3N4OS/c1-20-15-22(2)14(24)13(25-15)7-10-8-21-23(9-10)12-6-4-3-5-11(12)16(17,18)19/h3-9H,1-2H3/b13-7-,20-15+
InChIKeyKYFWXSAQLMWVNU-BUSRTVQZSA-N
XLogP3.42
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylene]-3-ethyl-2-(ethylimino)-1,3-thiazolidin-4-one
CID 1803739
(5Z)-3-cyclohexyl-2-phenylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 122196312
(5Z)-3-methyl-2-phenylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 122196318
(5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 122196320
(5Z)-5-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one
CID 136042186
N-[4-oxo-5-{(Z)-[2-(1H-pyrazol-1-yl)phenyl]methylidene}-1,3-thiazol-2(4H)-yl]guanidine
CID 5817112
2-(hydroxyamino)-5-{(Z)-[2-(1H-pyrazol-1-yl)phenyl]methylidene}-1,3-thiazol-4-one
CID 135439668
(5E)-5-[[1-acetyl-3-(4-fluorophenyl)pyrazol-4-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1202684
(5E)-3-ethyl-2-ethylimino-5-[[3-(4-fluorophenyl)-1-propanoylpyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 1202686
(5E)-5-[[1-acetyl-3-(4-fluorophenyl)pyrazol-4-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 1825253
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 46233217
N-[(5Z)-5-[[1-acetyl-3-(4-fluorophenyl)pyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 92264671

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one (CID 122196321) is (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one is C/N=C1/S/C(=C\c2cnn(-c3ccccc3C(F)(F)F)c2)C(=O)N1C.
What is the InChIKey of (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is KYFWXSAQLMWVNU-BUSRTVQZSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-20-15-22(2)14(24)13(25-15)7-10-8-21-23(9-10)12-6-4-3-5-11(12)16(17,18)19/h3-9H,1-2H3/b13-7-,20-15+.
What are the key properties of (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 366.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 122196321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).