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

C22H26N2OS — CID 155541067

IUPAC(5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(C(C)(C)C)cc3)S2)cc1
InChIInChI=1S/C22H26N2OS/c1-22(2,3)17-8-10-18(11-9-17)23-21-24(4)15-20(26-21)14-16-6-12-19(25-5)13-7-16/h6-14H,15H2,1-5H3/b20-14-,23-21+
InChIKeyJMQLDEMESVKIIP-GOOZCERISA-N
MW366.53 g/mol
LogP5.70
Rot. Bonds3

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

(5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine (PubChem CID 155541067) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is (5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
PubChem CID155541067
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name(5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(C(C)(C)C)cc3)S2)cc1
InChIInChI=1S/C22H26N2OS/c1-22(2,3)17-8-10-18(11-9-17)23-21-24(4)15-20(26-21)14-16-6-12-19(25-5)13-7-16/h6-14H,15H2,1-5H3/b20-14-,23-21+
InChIKeyJMQLDEMESVKIIP-GOOZCERISA-N
XLogP5.70
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 155552606
(5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine
CID 166943627
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126241653
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126236270
(5Z)-3-[2-(4-tert-butylphenoxy)ethyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2317784
(5E)-2-(4-methoxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135435591
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(4-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486645
N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
4-[[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 177373826
(3E)-3-[(4-methoxyphenyl)methylidene]dithiolane
CID 125475815
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of (5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine (CID 155541067) is (5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for (5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine is COc1ccc(/C=C2/CN(C)/C(=N\c3ccc(C(C)(C)C)cc3)S2)cc1.
What is the InChIKey of (5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The InChIKey is JMQLDEMESVKIIP-GOOZCERISA-N. The full InChI is InChI=1S/C22H26N2OS/c1-22(2,3)17-8-10-18(11-9-17)23-21-24(4)15-20(26-21)14-16-6-12-19(25-5)13-7-16/h6-14H,15H2,1-5H3/b20-14-,23-21+.
What are the key properties of (5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
(5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine has a molecular weight of 366.53 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 155541067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).