3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine

C19H17F2N3S — CID 23968964

IUPAC3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\CCc2ccccc2)n1N=Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3S/c1-14-13-25-19(22-10-9-15-5-3-2-4-6-15)24(14)23-12-16-7-8-17(20)18(21)11-16/h2-8,11-13H,9-10H2,1H3/b22-19-,23-12?
InChIKeyUXLRAEBYWNENON-YVGVNDFSSA-N
MW357.43 g/mol
LogP4.16
Rot. Bonds5

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

3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 23968964) has the molecular formula C19H17F2N3S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID23968964
Molecular FormulaC19H17F2N3S
Molecular Weight357.43 g/mol
Exact Mass357.11
IUPAC Name3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\CCc2ccccc2)n1N=Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3S/c1-14-13-25-19(22-10-9-15-5-3-2-4-6-15)24(14)23-12-16-7-8-17(20)18(21)11-16/h2-8,11-13H,9-10H2,1H3/b22-19-,23-12?
InChIKeyUXLRAEBYWNENON-YVGVNDFSSA-N
XLogP4.16
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.16
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-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine (CID 23968964) is 3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine is Cc1cs/c(=N\CCc2ccccc2)n1N=Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is UXLRAEBYWNENON-YVGVNDFSSA-N. The full InChI is InChI=1S/C19H17F2N3S/c1-14-13-25-19(22-10-9-15-5-3-2-4-6-15)24(14)23-12-16-7-8-17(20)18(21)11-16/h2-8,11-13H,9-10H2,1H3/b22-19-,23-12?.
What are the key properties of 3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine?
3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 357.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methylideneamino]-4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23968964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).