1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine

C20H20N2S4 — CID 11418628

IUPAC1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine
SMILESCCSC(=Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1)SCC
InChIInChI=1S/C20H20N2S4/c1-3-23-20(24-4-2)22-19-21-18(14-25-19)15-10-12-17(13-11-15)26-16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3
InChIKeyAGWZZKBNMBSOBO-UHFFFAOYSA-N
MW416.66 g/mol
LogP7.45
Rot. Bonds6

About 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine

1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine (PubChem CID 11418628) has the molecular formula C20H20N2S4 and a molecular weight of 416.66 g/mol. Its IUPAC name is 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound Name1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine
PubChem CID11418628
Molecular FormulaC20H20N2S4
Molecular Weight416.66 g/mol
Exact Mass416.05
IUPAC Name1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine
SMILESCCSC(=Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1)SCC
InChIInChI=1S/C20H20N2S4/c1-3-23-20(24-4-2)22-19-21-18(14-25-19)15-10-12-17(13-11-15)26-16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3
InChIKeyAGWZZKBNMBSOBO-UHFFFAOYSA-N
XLogP7.45
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.66
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide
CID 86232450
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854875
(E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine
CID 119086097
[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983842
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
CID 24938739
benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene
CID 91928514
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597
(Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine
CID 73345964
2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid
CID 13177627
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867767

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine?
The IUPAC name of 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine (CID 11418628) is 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine is CCSC(=Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1)SCC.
What is the InChIKey of 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine?
The InChIKey is AGWZZKBNMBSOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2S4/c1-3-23-20(24-4-2)22-19-21-18(14-25-19)15-10-12-17(13-11-15)26-16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine?
1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine has a molecular weight of 416.66 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethylsulfanyl)-N-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 11418628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).