4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

C25H20N4OS — CID 23993662

IUPAC4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2N=Cc2ccccn2)c(C)c1
InChIInChI=1S/C25H20N4OS/c1-17-10-11-21(18(2)13-17)28-25-29(27-15-20-8-5-6-12-26-20)22(16-31-25)24-14-19-7-3-4-9-23(19)30-24/h3-16H,1-2H3/b27-15?,28-25-
InChIKeyUZICDEDIMCKOHZ-UNDXCUNESA-N
MW424.53 g/mol
LogP6.09
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23993662) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23993662
Molecular FormulaC25H20N4OS
Molecular Weight424.53 g/mol
Exact Mass424.14
IUPAC Name4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2N=Cc2ccccn2)c(C)c1
InChIInChI=1S/C25H20N4OS/c1-17-10-11-21(18(2)13-17)28-25-29(27-15-20-8-5-6-12-26-20)22(16-31-25)24-14-19-7-3-4-9-23(19)30-24/h3-16H,1-2H3/b27-15?,28-25-
InChIKeyUZICDEDIMCKOHZ-UNDXCUNESA-N
XLogP6.09
TPSA55.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23993662) is 4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is Cc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2N=Cc2ccccn2)c(C)c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is UZICDEDIMCKOHZ-UNDXCUNESA-N. The full InChI is InChI=1S/C25H20N4OS/c1-17-10-11-21(18(2)13-17)28-25-29(27-15-20-8-5-6-12-26-20)22(16-31-25)24-14-19-7-3-4-9-23(19)30-24/h3-16H,1-2H3/b27-15?,28-25-.
What are the key properties of 4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 424.53 g/mol, XLogP of 6.09, 4 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)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23993662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).