(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

C19H17F3N2OS — CID 155538199

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(C(F)(F)F)cc3)S2)cc1
InChIInChI=1S/C19H17F3N2OS/c1-24-12-17(11-13-3-9-16(25-2)10-4-13)26-18(24)23-15-7-5-14(6-8-15)19(20,21)22/h3-11H,12H2,1-2H3/b17-11-,23-18+
InChIKeyMQWOSDAXZMHOBO-NVLINNPHSA-N
MW378.42 g/mol
LogP5.42
Rot. Bonds3

About (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (PubChem CID 155538199) has the molecular formula C19H17F3N2OS and a molecular weight of 378.42 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
PubChem CID155538199
Molecular FormulaC19H17F3N2OS
Molecular Weight378.42 g/mol
Exact Mass378.10
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(C(F)(F)F)cc3)S2)cc1
InChIInChI=1S/C19H17F3N2OS/c1-24-12-17(11-13-3-9-16(25-2)10-4-13)26-18(24)23-15-7-5-14(6-8-15)19(20,21)22/h3-11H,12H2,1-2H3/b17-11-,23-18+
InChIKeyMQWOSDAXZMHOBO-NVLINNPHSA-N
XLogP5.42
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (CID 155538199) is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is COc1ccc(/C=C2/CN(C)/C(=N\c3ccc(C(F)(F)F)cc3)S2)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The InChIKey is MQWOSDAXZMHOBO-NVLINNPHSA-N. The full InChI is InChI=1S/C19H17F3N2OS/c1-24-12-17(11-13-3-9-16(25-2)10-4-13)26-18(24)23-15-7-5-14(6-8-15)19(20,21)22/h3-11H,12H2,1-2H3/b17-11-,23-18+.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine has a molecular weight of 378.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 155538199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).