4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine

C23H27FN2OS — CID 4547406

IUPAC4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C(C)CCC(C)C)cc1
InChIInChI=1S/C23H27FN2OS/c1-16(2)5-6-17(3)26-22(18-7-9-19(24)10-8-18)15-28-23(26)25-20-11-13-21(27-4)14-12-20/h7-17H,5-6H2,1-4H3/b25-23-
InChIKeyMGDPKILWXNVDNG-BZZOAKBMSA-N
MW398.55 g/mol
LogP6.59
Rot. Bonds7

About 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine

4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine (PubChem CID 4547406) has the molecular formula C23H27FN2OS and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine
PubChem CID4547406
Molecular FormulaC23H27FN2OS
Molecular Weight398.55 g/mol
Exact Mass398.18
IUPAC Name4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C(C)CCC(C)C)cc1
InChIInChI=1S/C23H27FN2OS/c1-16(2)5-6-17(3)26-22(18-7-9-19(24)10-8-18)15-28-23(26)25-20-11-13-21(27-4)14-12-20/h7-17H,5-6H2,1-4H3/b25-23-
InChIKeyMGDPKILWXNVDNG-BZZOAKBMSA-N
XLogP6.59
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-N-ethyl-3-(4-fluorobenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
CID 649352
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 683363
(Z)-4-((3-ethyl-4-phenylthiazol-2(3H)-ylidene)amino)phenol hydrobromide
CID 16194846
Diethyl-[2-[3-(4-methoxyphenyl)-4-sulfanylidenequinazolin-2-yl]sulfanylethyl]-methylazanium
CID 23828108
Methyl 3-(4-methoxyphenyl)imino-2-thia-4-azaspiro[5.5]undecane-4-carbodithioate
CID 44432319
3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
CID 693862
Carbamodithioic acid, diethyl-, 2-((4-methoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester
CID 60035
N-(3-(3-(Dimethylamino)propyl)-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)aniline
CID 396118
2-[(2Z)-4-(4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 701126
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazol-3(2H)-yl]ethanol
CID 1514809
(2Z)-3-benzyl-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1528671
3-[(2Z)-2-[(4-ethoxyphenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 4410921

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine (CID 4547406) is 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C(C)CCC(C)C)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine?
The InChIKey is MGDPKILWXNVDNG-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H27FN2OS/c1-16(2)5-6-17(3)26-22(18-7-9-19(24)10-8-18)15-28-23(26)25-20-11-13-21(27-4)14-12-20/h7-17H,5-6H2,1-4H3/b25-23-.
What are the key properties of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine has a molecular weight of 398.55 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(5-methylhexan-2-yl)-1,3-thiazol-2-imine is sourced from PubChem (CID 4547406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).