3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine

C19H25N3S — CID 23885359

IUPAC3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1N=C1CCCCCCC1
InChIInChI=1S/C19H25N3S/c1-2-20-19-22(21-17-13-9-4-3-5-10-14-17)18(15-23-19)16-11-7-6-8-12-16/h6-8,11-12,15H,2-5,9-10,13-14H2,1H3/b20-19-
InChIKeyIBRJYCDXWMZZFC-VXPUYCOJSA-N
MW327.50 g/mol
LogP5.09
Rot. Bonds3

About 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine

3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine (PubChem CID 23885359) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
PubChem CID23885359
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1N=C1CCCCCCC1
InChIInChI=1S/C19H25N3S/c1-2-20-19-22(21-17-13-9-4-3-5-10-14-17)18(15-23-19)16-11-7-6-8-12-16/h6-8,11-12,15H,2-5,9-10,13-14H2,1H3/b20-19-
InChIKeyIBRJYCDXWMZZFC-VXPUYCOJSA-N
XLogP5.09
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7974852
N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine
CID 23851692
3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
CID 23849821
3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
CID 23798776
N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23767327
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
6-[3-(cyclopentylideneamino)-2-ethylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2998954
3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 7975580
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135610385
4-[(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23798582

Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine (CID 23885359) is 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccccc2)n1N=C1CCCCCCC1.
What is the InChIKey of 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is IBRJYCDXWMZZFC-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H25N3S/c1-2-20-19-22(21-17-13-9-4-3-5-10-14-17)18(15-23-19)16-11-7-6-8-12-16/h6-8,11-12,15H,2-5,9-10,13-14H2,1H3/b20-19-.
What are the key properties of 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 327.50 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23885359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).