3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine

C21H21N3OS — CID 23827708

IUPAC3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2OC)n1N=C1CCc2ccccc21
InChIInChI=1S/C21H21N3OS/c1-3-22-21-24(23-18-13-12-15-8-4-5-9-16(15)18)19(14-26-21)17-10-6-7-11-20(17)25-2/h4-11,14H,3,12-13H2,1-2H3/b22-21-,23-18?
InChIKeyLYXBFZTVUBZGGL-UJRGUCKDSA-N
MW363.49 g/mol
LogP4.34
Rot. Bonds4

About 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine

3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23827708) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23827708
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2OC)n1N=C1CCc2ccccc21
InChIInChI=1S/C21H21N3OS/c1-3-22-21-24(23-18-13-12-15-8-4-5-9-16(15)18)19(14-26-21)17-10-6-7-11-20(17)25-2/h4-11,14H,3,12-13H2,1-2H3/b22-21-,23-18?
InChIKeyLYXBFZTVUBZGGL-UJRGUCKDSA-N
XLogP4.34
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23828020
3-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23968521
3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23796469
3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884932
(Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine
CID 6088460
4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine
CID 23903215
3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23734721
(Z)-N-ethyl-4-(2-fluorophenyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 7974902
3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 23885359
3-(cyclohexylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7974852
4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23739770
3-(2,3-dihydroinden-1-ylideneamino)-4-(3-nitrophenyl)-N-propan-2-yl-1,3-thiazol-2-imine
CID 23877338

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine (CID 23827708) is 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccccc2OC)n1N=C1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is LYXBFZTVUBZGGL-UJRGUCKDSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-3-22-21-24(23-18-13-12-15-8-4-5-9-16(15)18)19(14-26-21)17-10-6-7-11-20(17)25-2/h4-11,14H,3,12-13H2,1-2H3/b22-21-,23-18?.
What are the key properties of 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine?
3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 363.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23827708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).