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

C25H20N4OS — CID 23875494

IUPAC4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCCc1ccc(C=Nn2c(-c3cc4ccccc4o3)cs/c2=N\c2cccnc2)cc1
InChIInChI=1S/C25H20N4OS/c1-2-18-9-11-19(12-10-18)15-27-29-22(24-14-20-6-3-4-8-23(20)30-24)17-31-25(29)28-21-7-5-13-26-16-21/h3-17H,2H2,1H3/b27-15?,28-25-
InChIKeyOWOBYEIFWOSTNR-UNDXCUNESA-N
MW424.53 g/mol
LogP6.03
Rot. Bonds5

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

4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23875494) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID23875494
Molecular FormulaC25H20N4OS
Molecular Weight424.53 g/mol
Exact Mass424.14
IUPAC Name4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCCc1ccc(C=Nn2c(-c3cc4ccccc4o3)cs/c2=N\c2cccnc2)cc1
InChIInChI=1S/C25H20N4OS/c1-2-18-9-11-19(12-10-18)15-27-29-22(24-14-20-6-3-4-8-23(20)30-24)17-31-25(29)28-21-7-5-13-26-16-21/h3-17H,2H2,1H3/b27-15?,28-25-
InChIKeyOWOBYEIFWOSTNR-UNDXCUNESA-N
XLogP6.03
TPSA55.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-chloro-3-nitrophenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23883507
4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23939933
4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23959793
2-[[4-(1-benzofuran-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135709426
4-(1-benzofuran-2-yl)-3-[(3-chlorophenyl)methyl]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23762806
4-(1-benzofuran-2-yl)-3-(benzylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23878562
4-[[4-(1-benzofuran-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135772424
4-(1-benzofuran-2-yl)-N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2339004
4-[[4-(1-benzofuran-2-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135548999
4-(1-benzofuran-2-yl)-3-(benzylideneamino)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23851500
4-(4-nitrophenyl)-3-[(4-nitrophenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23939298

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23875494) is 4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine is CCc1ccc(C=Nn2c(-c3cc4ccccc4o3)cs/c2=N\c2cccnc2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is OWOBYEIFWOSTNR-UNDXCUNESA-N. The full InChI is InChI=1S/C25H20N4OS/c1-2-18-9-11-19(12-10-18)15-27-29-22(24-14-20-6-3-4-8-23(20)30-24)17-31-25(29)28-21-7-5-13-26-16-21/h3-17H,2H2,1H3/b27-15?,28-25-.
What are the key properties of 4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 424.53 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-3-[(4-ethylphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23875494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).