N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine

C17H14ClFN2S — CID 20815574

IUPACN-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCc1cc(Cl)ccc1/N=c1\scc(-c2ccc(F)cc2)n1C
InChIInChI=1S/C17H14ClFN2S/c1-11-9-13(18)5-8-15(11)20-17-21(2)16(10-22-17)12-3-6-14(19)7-4-12/h3-10H,1-2H3/b20-17-
InChIKeyKMYKDUMOSFHIPU-JZJYNLBNSA-N
MW332.83 g/mol
LogP5.09
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine

N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine (PubChem CID 20815574) has the molecular formula C17H14ClFN2S and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
PubChem CID20815574
Molecular FormulaC17H14ClFN2S
Molecular Weight332.83 g/mol
Exact Mass332.06
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCc1cc(Cl)ccc1/N=c1\scc(-c2ccc(F)cc2)n1C
InChIInChI=1S/C17H14ClFN2S/c1-11-9-13(18)5-8-15(11)20-17-21(2)16(10-22-17)12-3-6-14(19)7-4-12/h3-10H,1-2H3/b20-17-
InChIKeyKMYKDUMOSFHIPU-JZJYNLBNSA-N
XLogP5.09
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.83
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine (CID 20815574) is N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine is Cc1cc(Cl)ccc1/N=c1\scc(-c2ccc(F)cc2)n1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine?
The InChIKey is KMYKDUMOSFHIPU-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14ClFN2S/c1-11-9-13(18)5-8-15(11)20-17-21(2)16(10-22-17)12-3-6-14(19)7-4-12/h3-10H,1-2H3/b20-17-.
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine?
N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine has a molecular weight of 332.83 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 20815574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).