4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine

C24H17BrN4O2S — CID 23959793

IUPAC4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(Br)cc1C=Nn1c(-c2cc3ccccc3o2)cs/c1=N\c1cccnc1
InChIInChI=1S/C24H17BrN4O2S/c1-30-21-9-8-18(25)11-17(21)13-27-29-20(23-12-16-5-2-3-7-22(16)31-23)15-32-24(29)28-19-6-4-10-26-14-19/h2-15H,1H3/b27-13?,28-24-
InChIKeySPHSPPSXZBUQAG-CIOVLDNHSA-N
MW505.40 g/mol
LogP6.24
Rot. Bonds5

About 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine

4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23959793) has the molecular formula C24H17BrN4O2S and a molecular weight of 505.40 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID23959793
Molecular FormulaC24H17BrN4O2S
Molecular Weight505.40 g/mol
Exact Mass504.03
IUPAC Name4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(Br)cc1C=Nn1c(-c2cc3ccccc3o2)cs/c1=N\c1cccnc1
InChIInChI=1S/C24H17BrN4O2S/c1-30-21-9-8-18(25)11-17(21)13-27-29-20(23-12-16-5-2-3-7-22(16)31-23)15-32-24(29)28-19-6-4-10-26-14-19/h2-15H,1H3/b27-13?,28-24-
InChIKeySPHSPPSXZBUQAG-CIOVLDNHSA-N
XLogP6.24
TPSA64.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.40
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23940312
4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23875494
2-[[4-(1-benzofuran-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135709426
4-(1-benzofuran-2-yl)-3-[(4-chloro-3-nitrophenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23883507
4-bromo-2-[[4-(2-bromophenyl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135693034
4-[[4-(1-benzofuran-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135772424
3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine
CID 2415514
4-[[4-(3-bromophenyl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135823313
2-[[4-(1-benzofuran-2-yl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135814437
6-[2-pyridin-3-ylimino-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23737401
2-[[4-(1-benzofuran-2-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135799781
4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23939933

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23959793) is 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine is COc1ccc(Br)cc1C=Nn1c(-c2cc3ccccc3o2)cs/c1=N\c1cccnc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is SPHSPPSXZBUQAG-CIOVLDNHSA-N. The full InChI is InChI=1S/C24H17BrN4O2S/c1-30-21-9-8-18(25)11-17(21)13-27-29-20(23-12-16-5-2-3-7-22(16)31-23)15-32-24(29)28-19-6-4-10-26-14-19/h2-15H,1H3/b27-13?,28-24-.
What are the key properties of 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 505.40 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23959793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).