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

C17H13BrFN3S — CID 6905570

IUPAC(E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C17H13BrFN3S/c1-20-17-22(21-10-12-2-6-14(18)7-3-12)16(11-23-17)13-4-8-15(19)9-5-13/h2-11H,1H3/b20-17-,21-10+
InChIKeyWQWJVOSLUUNZTO-OINPPHAGSA-N
MW390.28 g/mol
LogP4.53
Rot. Bonds3

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

(E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine (PubChem CID 6905570) has the molecular formula C17H13BrFN3S and a molecular weight of 390.28 g/mol. Its IUPAC name is (E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
PubChem CID6905570
Molecular FormulaC17H13BrFN3S
Molecular Weight390.28 g/mol
Exact Mass389.00
IUPAC Name(E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C17H13BrFN3S/c1-20-17-22(21-10-12-2-6-14(18)7-3-12)16(11-23-17)13-4-8-15(19)9-5-13/h2-11H,1H3/b20-17-,21-10+
InChIKeyWQWJVOSLUUNZTO-OINPPHAGSA-N
XLogP4.53
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Fluorophenyl)-3-{[(3-fluorophenyl)methylidene]amino}-N-methyl-1,3-thiazol-2(3H)-imine
CID 2380455
3-[(3-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383522
(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 6902624
(Z)-4-(2-fluorophenyl)-3-[(Z)-(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 5678863
3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338816
3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338988
3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2338989
4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2339862
3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2340269
4-(3-bromophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2340270
4-(4-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2340472
4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 2342348

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine (CID 6905570) is (E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
The InChIKey is WQWJVOSLUUNZTO-OINPPHAGSA-N. The full InChI is InChI=1S/C17H13BrFN3S/c1-20-17-22(21-10-12-2-6-14(18)7-3-12)16(11-23-17)13-4-8-15(19)9-5-13/h2-11H,1H3/b20-17-,21-10+.
What are the key properties of (E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
(E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine has a molecular weight of 390.28 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-(4-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6905570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).