N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine

C20H13F2N3S2 — CID 23989016

IUPACN,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2N=Cc2ccsc2)cc1
InChIInChI=1S/C20H13F2N3S2/c21-16-3-1-15(2-4-16)19-13-27-20(24-18-7-5-17(22)6-8-18)25(19)23-11-14-9-10-26-12-14/h1-13H/b23-11?,24-20-
InChIKeyNJUQJWIYQUEICW-SIQQMNMFSA-N
MW397.48 g/mol
LogP5.67
Rot. Bonds4

About N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine

N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23989016) has the molecular formula C20H13F2N3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23989016
Molecular FormulaC20H13F2N3S2
Molecular Weight397.48 g/mol
Exact Mass397.05
IUPAC NameN,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2N=Cc2ccsc2)cc1
InChIInChI=1S/C20H13F2N3S2/c21-16-3-1-15(2-4-16)19-13-27-20(24-18-7-5-17(22)6-8-18)25(19)23-11-14-9-10-26-12-14/h1-13H/b23-11?,24-20-
InChIKeyNJUQJWIYQUEICW-SIQQMNMFSA-N
XLogP5.67
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2365148
3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine
CID 2415514
4-(3,4-dichlorophenyl)-N-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23934529
3-(4-fluorophenyl)-4-[(Z)-thiophen-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 8826697
4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135813515
2-bromo-4-[[2-(4-fluorophenyl)imino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135553714
N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 142106070
(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905379
4-[[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135832353
4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2401260
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
4-[[4-(4-fluorophenyl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135840428

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23989016) is N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2N=Cc2ccsc2)cc1.
What is the InChIKey of N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is NJUQJWIYQUEICW-SIQQMNMFSA-N. The full InChI is InChI=1S/C20H13F2N3S2/c21-16-3-1-15(2-4-16)19-13-27-20(24-18-7-5-17(22)6-8-18)25(19)23-11-14-9-10-26-12-14/h1-13H/b23-11?,24-20-.
What are the key properties of N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 397.48 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23989016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).