(2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C29H23F3N6O2S — CID 173469210

About (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 173469210) has the molecular formula C29H23F3N6O2S and a molecular weight of 576.60 g/mol. Its IUPAC name is (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 173469210
• Molecular Formula: C29H23F3N6O2S
• Molecular Weight: 576.60 g/mol
• Exact Mass: 576.16
• IUPAC Name: (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: CC1S/C(=N\N=Cc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)N(c2ccccc2C2CC2)C1=O
• InChI: InChI=1S/C29H23F3N6O2S/c1-18-27(39)38(25-5-3-2-4-24(25)20-10-11-20)28(41-18)35-34-16-19-6-8-21(9-7-19)26-33-17-37(36-26)22-12-14-23(15-13-22)40-29(30,31)32/h2-9,12-18,20H,10-11H2,1H3/b34-16?,35-28-
• InChIKey: RUIIBPKONCCFEY-JAZUGNRXSA-N
• XLogP: 6.57
• TPSA: 84.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.60
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 173469210) is (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC1S/C(=N\N=Cc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)N(c2ccccc2C2CC2)C1=O.

What is the InChIKey of (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The InChIKey is RUIIBPKONCCFEY-JAZUGNRXSA-N. The full InChI is InChI=1S/C29H23F3N6O2S/c1-18-27(39)38(25-5-3-2-4-24(25)20-10-11-20)28(41-18)35-34-16-19-6-8-21(9-7-19)26-33-17-37(36-26)22-12-14-23(15-13-22)40-29(30,31)32/h2-9,12-18,20H,10-11H2,1H3/b34-16?,35-28-.

What are the key properties of (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

(2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 576.60 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-3-(2-cyclopropylphenyl)-5-methyl-2-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 173469210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).