N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

C24H22N4O2S — CID 23993667

IUPACN-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2ccccn2)c(OC)c1
InChIInChI=1S/C24H22N4O2S/c1-29-20-11-12-21(23(14-20)30-2)22-17-31-24(26-15-18-8-4-3-5-9-18)28(22)27-16-19-10-6-7-13-25-19/h3-14,16-17H,15H2,1-2H3/b26-24-,27-16?
InChIKeyCVFRJPVLUCNBDG-KZZIXVDKSA-N
MW430.53 g/mol
LogP4.61
Rot. Bonds7

About N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23993667) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23993667
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2ccccn2)c(OC)c1
InChIInChI=1S/C24H22N4O2S/c1-29-20-11-12-21(23(14-20)30-2)22-17-31-24(26-15-18-8-4-3-5-9-18)28(22)27-16-19-10-6-7-13-25-19/h3-14,16-17H,15H2,1-2H3/b26-24-,27-16?
InChIKeyCVFRJPVLUCNBDG-KZZIXVDKSA-N
XLogP4.61
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23993667) is N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2ccccn2)c(OC)c1.
What is the InChIKey of N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is CVFRJPVLUCNBDG-KZZIXVDKSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-29-20-11-12-21(23(14-20)30-2)22-17-31-24(26-15-18-8-4-3-5-9-18)28(22)27-16-19-10-6-7-13-25-19/h3-14,16-17H,15H2,1-2H3/b26-24-,27-16?.
What are the key properties of N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 430.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23993667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).