3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine

C18H15BrN4OS — CID 135580167

IUPAC3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccco2)n1N=Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H15BrN4OS/c1-2-20-18-23(16(11-25-18)17-4-3-7-24-17)22-10-12-9-21-15-6-5-13(19)8-14(12)15/h3-11,21H,2H2,1H3/b20-18-,22-10?
InChIKeyFZLNYQRNHPXFMU-WZFPCHQNSA-N
MW415.32 g/mol
LogP4.86
Rot. Bonds4

About 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine

3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine (PubChem CID 135580167) has the molecular formula C18H15BrN4OS and a molecular weight of 415.32 g/mol. Its IUPAC name is 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine
PubChem CID135580167
Molecular FormulaC18H15BrN4OS
Molecular Weight415.32 g/mol
Exact Mass414.01
IUPAC Name3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccco2)n1N=Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H15BrN4OS/c1-2-20-18-23(16(11-25-18)17-4-3-7-24-17)22-10-12-9-21-15-6-5-13(19)8-14(12)15/h3-11,21H,2H2,1H3/b20-18-,22-10?
InChIKeyFZLNYQRNHPXFMU-WZFPCHQNSA-N
XLogP4.86
TPSA58.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 2473772
4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2481548
N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135573853
N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2459841
5-ethoxy-2-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838883
N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2457721
4-bromo-2-[[4-(furan-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135584429
5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 2366096
4-bromo-2-[[4-(4-bromophenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135548990
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-(3-chlorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-imine
CID 2620756
(E)-3-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-4-(3-chlorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-imine
CID 135557855
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 135849959

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine (CID 135580167) is 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccco2)n1N=Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine?
The InChIKey is FZLNYQRNHPXFMU-WZFPCHQNSA-N. The full InChI is InChI=1S/C18H15BrN4OS/c1-2-20-18-23(16(11-25-18)17-4-3-7-24-17)22-10-12-9-21-15-6-5-13(19)8-14(12)15/h3-11,21H,2H2,1H3/b20-18-,22-10?.
What are the key properties of 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine?
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine has a molecular weight of 415.32 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine is sourced from PubChem (CID 135580167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).