3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

C22H20N4S2 — CID 23740219

IUPAC3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\c1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H20N4S2/c1-15-8-9-18(12-16(15)2)17(3)25-26-20(21-7-5-11-27-21)14-28-22(26)24-19-6-4-10-23-13-19/h4-14H,1-3H3/b24-22-,25-17?
InChIKeyGHYWMQQAHPILDQ-UXKGWEFQSA-N
MW404.56 g/mol
LogP5.79
Rot. Bonds4

About 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23740219) has the molecular formula C22H20N4S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23740219
Molecular FormulaC22H20N4S2
Molecular Weight404.56 g/mol
Exact Mass404.11
IUPAC Name3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\c1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H20N4S2/c1-15-8-9-18(12-16(15)2)17(3)25-26-20(21-7-5-11-27-21)14-28-22(26)24-19-6-4-10-23-13-19/h4-14H,1-3H3/b24-22-,25-17?
InChIKeyGHYWMQQAHPILDQ-UXKGWEFQSA-N
XLogP5.79
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.79
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

N-(2,4-dimethylphenyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23935653
N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23964786
N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23799743
4-[N-[2-(3,4-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135739971
N-(2,6-dimethylphenyl)-3-[1-(4-methyl-3-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23993638
4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine
CID 23958813
N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23907971
4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23936246
3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23990120
6-[3-[1-(3-fluorophenyl)ethylideneamino]-2-pyridin-3-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23934024
3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine;hydrobromide
CID 42917360
4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23823582

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23740219) is 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is CC(=Nn1c(-c2cccs2)cs/c1=N\c1cccnc1)c1ccc(C)c(C)c1.
What is the InChIKey of 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is GHYWMQQAHPILDQ-UXKGWEFQSA-N. The full InChI is InChI=1S/C22H20N4S2/c1-15-8-9-18(12-16(15)2)17(3)25-26-20(21-7-5-11-27-21)14-28-22(26)24-19-6-4-10-23-13-19/h4-14H,1-3H3/b24-22-,25-17?.
What are the key properties of 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 404.56 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23740219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).