4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

C17H15BrN4S — CID 23993224

IUPAC4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccc(Br)c2)n1N=Cc1ccncc1
InChIInChI=1S/C17H15BrN4S/c1-2-20-17-22(21-11-13-6-8-19-9-7-13)16(12-23-17)14-4-3-5-15(18)10-14/h3-12H,2H2,1H3/b20-17-,21-11?
InChIKeyMCNPXWQZSYQHGO-PBEPQCNBSA-N
MW387.31 g/mol
LogP4.18
Rot. Bonds4

About 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23993224) has the molecular formula C17H15BrN4S and a molecular weight of 387.31 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23993224
Molecular FormulaC17H15BrN4S
Molecular Weight387.31 g/mol
Exact Mass386.02
IUPAC Name4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccc(Br)c2)n1N=Cc1ccncc1
InChIInChI=1S/C17H15BrN4S/c1-2-20-17-22(21-11-13-6-8-19-9-7-13)16(12-23-17)14-4-3-5-15(18)10-14/h3-12H,2H2,1H3/b20-17-,21-11?
InChIKeyMCNPXWQZSYQHGO-PBEPQCNBSA-N
XLogP4.18
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.18
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-(3-bromophenyl)-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23769321
(E)-4-(3-bromophenyl)-N-ethyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901121
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23939933
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2448029
(Z)-N-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7974865
4-[(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23798582
4-(4-bromophenyl)-N-ethyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 4318026
4-bromo-2-[[4-(4-bromophenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135548990
4-(3,4-dichlorophenyl)-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23882854
N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23907138

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23993224) is 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2cccc(Br)c2)n1N=Cc1ccncc1.
What is the InChIKey of 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is MCNPXWQZSYQHGO-PBEPQCNBSA-N. The full InChI is InChI=1S/C17H15BrN4S/c1-2-20-17-22(21-11-13-6-8-19-9-7-13)16(12-23-17)14-4-3-5-15(18)10-14/h3-12H,2H2,1H3/b20-17-,21-11?.
What are the key properties of 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 387.31 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23993224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).