3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine

C18H17FN2S — CID 56693405

IUPAC3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine
SMILESC/N=c1\sc(-c2ccc(F)cc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C18H17FN2S/c1-13-17(15-8-10-16(19)11-9-15)22-18(20-2)21(13)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/b20-18-
InChIKeyBKZJLMMWRVJIML-ZZEZOPTASA-N
MW312.41 g/mol
LogP4.24
Rot. Bonds3

About 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine

3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine (PubChem CID 56693405) has the molecular formula C18H17FN2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine
PubChem CID56693405
Molecular FormulaC18H17FN2S
Molecular Weight312.41 g/mol
Exact Mass312.11
IUPAC Name3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine
SMILESC/N=c1\sc(-c2ccc(F)cc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C18H17FN2S/c1-13-17(15-8-10-16(19)11-9-15)22-18(20-2)21(13)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/b20-18-
InChIKeyBKZJLMMWRVJIML-ZZEZOPTASA-N
XLogP4.24
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine?
The IUPAC name of 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine (CID 56693405) is 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine is C/N=c1\sc(-c2ccc(F)cc2)c(C)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine?
The InChIKey is BKZJLMMWRVJIML-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2S/c1-13-17(15-8-10-16(19)11-9-15)22-18(20-2)21(13)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/b20-18-.
What are the key properties of 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine?
3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine has a molecular weight of 312.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-imine is sourced from PubChem (CID 56693405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).