5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine

C21H14F2N2S — CID 2800020

IUPAC5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cn(-c3ccccc3)/c(=N/c3ccccc3)s2)cc1F
InChIInChI=1S/C21H14F2N2S/c22-18-12-11-15(13-19(18)23)20-14-25(17-9-5-2-6-10-17)21(26-20)24-16-7-3-1-4-8-16/h1-14H/b24-21-
InChIKeyVERWBRNFGUGALX-FLFQWRMESA-N
MW364.42 g/mol
LogP5.72
Rot. Bonds3

About 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine

5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine (PubChem CID 2800020) has the molecular formula C21H14F2N2S and a molecular weight of 364.42 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine
PubChem CID2800020
Molecular FormulaC21H14F2N2S
Molecular Weight364.42 g/mol
Exact Mass364.08
IUPAC Name5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cn(-c3ccccc3)/c(=N/c3ccccc3)s2)cc1F
InChIInChI=1S/C21H14F2N2S/c22-18-12-11-15(13-19(18)23)20-14-25(17-9-5-2-6-10-17)21(26-20)24-16-7-3-1-4-8-16/h1-14H/b24-21-
InChIKeyVERWBRNFGUGALX-FLFQWRMESA-N
XLogP5.72
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-diphenyl-3-[6-(5-phenyl-2-phenylimino-1,3-thiazol-3-yl)hexyl]-1,3-thiazol-2-imine
CID 45488910
(3,4-Diphenyl-3H-thiazol-2-ylidene)-phenyl-amine
CID 725578
N-[4-(trifluoromethyl)phenyl]-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
CID 90671462
4-Thiazoline, 4-(4-fluorophenyl)-3-methyl-2-(phenylimino)-
CID 625006
3-ethyl-4-(4-fluorophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 1821635
5-benzylimino-N-ethyl-N-phenyl-1,2,4-dithiazol-3-amine
CID 178299685
[5-Methyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]cyanamide
CID 15451823
4-(4-fluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine
CID 1610771
3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine
CID 5245414
3-Phenyl-6-(4-fluorophenyl)-2-phenylimino-2,3-dihydro-4h-1,3-thiazin-4-one
CID 129746496
(4-fluorophenyl) N'-benzyl-N-phenylcarbamimidothioate
CID 138974903
phenyl N'-benzyl-N-[2-(trifluoromethyl)phenyl]carbamimidothioate
CID 138974906

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine?
The IUPAC name of 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine (CID 2800020) is 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine?
The canonical SMILES for 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine is Fc1ccc(-c2cn(-c3ccccc3)/c(=N/c3ccccc3)s2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine?
The InChIKey is VERWBRNFGUGALX-FLFQWRMESA-N. The full InChI is InChI=1S/C21H14F2N2S/c22-18-12-11-15(13-19(18)23)20-14-25(17-9-5-2-6-10-17)21(26-20)24-16-7-3-1-4-8-16/h1-14H/b24-21-.
What are the key properties of 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine?
5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine has a molecular weight of 364.42 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N,3-diphenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2800020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).