4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine

C15H20N2OS — CID 671966

IUPAC4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(OCC)cc2)n1CC
InChIInChI=1S/C15H20N2OS/c1-4-16-15-17(5-2)14(11-19-15)12-7-9-13(10-8-12)18-6-3/h7-11H,4-6H2,1-3H3/b16-15-
InChIKeyJWFHVXUOAKKKKU-NXVVXOECSA-N
MW276.41 g/mol
LogP3.56
Rot. Bonds5

About 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine

4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine (PubChem CID 671966) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine
PubChem CID671966
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(OCC)cc2)n1CC
InChIInChI=1S/C15H20N2OS/c1-4-16-15-17(5-2)14(11-19-15)12-7-9-13(10-8-12)18-6-3/h7-11H,4-6H2,1-3H3/b16-15-
InChIKeyJWFHVXUOAKKKKU-NXVVXOECSA-N
XLogP3.56
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(4-propoxyphenyl)-, monohydrochloride
CID 3076280
Triazolo-benzodiazepine derivative 1
CID 71254559
4-(4-Ethoxybenzyl)thiomorpholine
CID 765559
3-(3,4-Dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 23724178
3-(4-Ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 686784
3-(3-Chloro-4-ethoxy-phenyl)-5,6-dihydro-imidazo[2,1-b]thiazole
CID 715067
3-(3-Chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 2041467
3-(4-Methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 16237819
4-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-fluorophenyl methyl ether hydrobromide
CID 2858220
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 683363
4-(4-Butoxybenzyl)thiomorpholine
CID 2055598
3-(4-Methoxy-phenyl)-5,6-dihydro-imidazo(2,1-B)thiazole, hydrobromide
CID 15563881

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine (CID 671966) is 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(OCC)cc2)n1CC.
What is the InChIKey of 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine?
The InChIKey is JWFHVXUOAKKKKU-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-16-15-17(5-2)14(11-19-15)12-7-9-13(10-8-12)18-6-3/h7-11H,4-6H2,1-3H3/b16-15-.
What are the key properties of 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine?
4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine has a molecular weight of 276.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N,3-diethyl-1,3-thiazol-2-imine is sourced from PubChem (CID 671966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).