3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine

C19H17F2N3S — CID 2338816

IUPAC3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1F
InChIInChI=1S/C19H17F2N3S/c1-3-22-19-24(23-11-15-8-9-16(20)10-17(15)21)18(12-25-19)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3/b22-19-,23-11?
InChIKeyWICRPQVOUDEMNJ-ZPHUFRHYSA-N
MW357.43 g/mol
LogP4.61
Rot. Bonds4

About 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine

3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 2338816) has the molecular formula C19H17F2N3S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID2338816
Molecular FormulaC19H17F2N3S
Molecular Weight357.43 g/mol
Exact Mass357.11
IUPAC Name3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1F
InChIInChI=1S/C19H17F2N3S/c1-3-22-19-24(23-11-15-8-9-16(20)10-17(15)21)18(12-25-19)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3/b22-19-,23-11?
InChIKeyWICRPQVOUDEMNJ-ZPHUFRHYSA-N
XLogP4.61
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 2338816) is 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is WICRPQVOUDEMNJ-ZPHUFRHYSA-N. The full InChI is InChI=1S/C19H17F2N3S/c1-3-22-19-24(23-11-15-8-9-16(20)10-17(15)21)18(12-25-19)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3/b22-19-,23-11?.
What are the key properties of 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 357.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2338816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).