N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine

C21H17Cl2F4N3O2S — CID 2473398

IUPACN-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine
SMILESC=C(Nn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N\CC)c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C21H17Cl2F4N3O2S/c1-3-28-21-30(17(10-33-21)12-4-7-15(22)16(23)8-12)29-11(2)14-6-5-13(31-19(24)25)9-18(14)32-20(26)27/h4-10,19-20,29H,2-3H2,1H3/b28-21-
InChIKeyHZIBOOMLCOANHR-HFTWOUSFSA-N
MW522.35 g/mol
LogP6.86
Rot. Bonds9

About N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine

N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine (PubChem CID 2473398) has the molecular formula C21H17Cl2F4N3O2S and a molecular weight of 522.35 g/mol. Its IUPAC name is N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine.

Molecular Properties

Compound NameN-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine
PubChem CID2473398
Molecular FormulaC21H17Cl2F4N3O2S
Molecular Weight522.35 g/mol
Exact Mass521.04
IUPAC NameN-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine
SMILESC=C(Nn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N\CC)c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C21H17Cl2F4N3O2S/c1-3-28-21-30(17(10-33-21)12-4-7-15(22)16(23)8-12)29-11(2)14-6-5-13(31-19(24)25)9-18(14)32-20(26)27/h4-10,19-20,29H,2-3H2,1H3/b28-21-
InChIKeyHZIBOOMLCOANHR-HFTWOUSFSA-N
XLogP6.86
TPSA47.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.35
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenylamino]carbamate
CID 2389128
(E)-4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6905418
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6906107
4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2365286
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(2,6-difluorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 6905940
4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2365148
4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide
CID 19477346
methyl N-[(Z)-1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6168777
methyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228224
ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228210
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
N-[3-[1-[[2-benzylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]amino]ethenyl]phenyl]acetamide
CID 2386507

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine?
The IUPAC name of N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine (CID 2473398) is N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine.
What is the SMILES notation for N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine?
The canonical SMILES for N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine is C=C(Nn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N\CC)c1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine?
The InChIKey is HZIBOOMLCOANHR-HFTWOUSFSA-N. The full InChI is InChI=1S/C21H17Cl2F4N3O2S/c1-3-28-21-30(17(10-33-21)12-4-7-15(22)16(23)8-12)29-11(2)14-6-5-13(31-19(24)25)9-18(14)32-20(26)27/h4-10,19-20,29H,2-3H2,1H3/b28-21-.
What are the key properties of N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine?
N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine has a molecular weight of 522.35 g/mol, XLogP of 6.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-4-(3,4-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-amine is sourced from PubChem (CID 2473398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).