3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine

C20H25N3S — CID 23798776

IUPAC3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2)n1N=C1CCCCCC1
InChIInChI=1S/C20H25N3S/c1-16(2)14-21-20-23(22-18-12-8-3-4-9-13-18)19(15-24-20)17-10-6-5-7-11-17/h5-7,10-11,15H,1,3-4,8-9,12-14H2,2H3/b21-20-
InChIKeyCSXJSKIIMLAAQM-MRCUWXFGSA-N
MW339.51 g/mol
LogP5.25
Rot. Bonds4

About 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine

3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 23798776) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID23798776
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC Name3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2)n1N=C1CCCCCC1
InChIInChI=1S/C20H25N3S/c1-16(2)14-21-20-23(22-18-12-8-3-4-9-13-18)19(15-24-20)17-10-6-5-7-11-17/h5-7,10-11,15H,1,3-4,8-9,12-14H2,2H3/b21-20-
InChIKeyCSXJSKIIMLAAQM-MRCUWXFGSA-N
XLogP5.25
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.51
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
CID 23849821
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
N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine
CID 23851692
(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
3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 7975580
6-[3-[(3-methylcyclohexylidene)amino]-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23988421
3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 3297229
6-[3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23877252
N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-imine
CID 23768745
N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23767327
4-[[3-(cyclopentylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23848301

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine (CID 23798776) is 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccccc2)n1N=C1CCCCCC1.
What is the InChIKey of 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is CSXJSKIIMLAAQM-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H25N3S/c1-16(2)14-21-20-23(22-18-12-8-3-4-9-13-18)19(15-24-20)17-10-6-5-7-11-17/h5-7,10-11,15H,1,3-4,8-9,12-14H2,2H3/b21-20-.
What are the key properties of 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine?
3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 339.51 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23798776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).