(E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine

C18H14BrF2N3OS — CID 6903475

IUPAC(E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccccc1Br
InChIInChI=1S/C18H14BrF2N3OS/c1-22-18-24(23-10-13-4-2-3-5-15(13)19)16(11-26-18)12-6-8-14(9-7-12)25-17(20)21/h2-11,17H,1H3/b22-18-,23-10+
InChIKeyGDRSDZBHVRGPRT-ALSYLCBWSA-N
MW438.30 g/mol
LogP4.99
Rot. Bonds5

About (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine

(E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine (PubChem CID 6903475) has the molecular formula C18H14BrF2N3OS and a molecular weight of 438.30 g/mol. Its IUPAC name is (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine
PubChem CID6903475
Molecular FormulaC18H14BrF2N3OS
Molecular Weight438.30 g/mol
Exact Mass437.00
IUPAC Name(E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccccc1Br
InChIInChI=1S/C18H14BrF2N3OS/c1-22-18-24(23-10-13-4-2-3-5-15(13)19)16(11-26-18)12-6-8-14(9-7-12)25-17(20)21/h2-11,17H,1H3/b22-18-,23-10+
InChIKeyGDRSDZBHVRGPRT-ALSYLCBWSA-N
XLogP4.99
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.30
LogP ≤ 54.99
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

(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 6906077
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135691133
(E)-4-(4-methoxyphenyl)-3-methyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 145993121
(Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
CID 162649560
4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2455193
4-[[4-[4-(Difluoromethoxy)phenyl]-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 2361955
4-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2365554
4-[4-(difluoromethoxy)phenyl]-3-[(4-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2383478
4-[[4-[4-(Difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 2390235
4-[[4-[4-(Difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 2417438
4-[4-(difluoromethoxy)phenyl]-3-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 2457899
4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2479347

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine (CID 6903475) is (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccccc1Br.
What is the InChIKey of (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is GDRSDZBHVRGPRT-ALSYLCBWSA-N. The full InChI is InChI=1S/C18H14BrF2N3OS/c1-22-18-24(23-10-13-4-2-3-5-15(13)19)16(11-26-18)12-6-8-14(9-7-12)25-17(20)21/h2-11,17H,1H3/b22-18-,23-10+.
What are the key properties of (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine?
(E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 438.30 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6903475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).