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

C19H23N3S — CID 23849821

IUPAC3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2)n1N=C1CCCCC1
InChIInChI=1S/C19H23N3S/c1-15(2)13-20-19-22(21-17-11-7-4-8-12-17)18(14-23-19)16-9-5-3-6-10-16/h3,5-6,9-10,14H,1,4,7-8,11-13H2,2H3/b20-19-
InChIKeyZSFBOULRXFQWBU-VXPUYCOJSA-N
MW325.48 g/mol
LogP4.86
Rot. Bonds4

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

3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 23849821) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID23849821
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2)n1N=C1CCCCC1
InChIInChI=1S/C19H23N3S/c1-15(2)13-20-19-22(21-17-11-7-4-8-12-17)18(14-23-19)16-9-5-3-6-10-16/h3,5-6,9-10,14H,1,4,7-8,11-13H2,2H3/b20-19-
InChIKeyZSFBOULRXFQWBU-VXPUYCOJSA-N
XLogP4.86
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.86
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-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
CID 23798776
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-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine (CID 23849821) is 3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccccc2)n1N=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is ZSFBOULRXFQWBU-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H23N3S/c1-15(2)13-20-19-22(21-17-11-7-4-8-12-17)18(14-23-19)16-9-5-3-6-10-16/h3,5-6,9-10,14H,1,4,7-8,11-13H2,2H3/b20-19-.
What are the key properties of 3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine?
3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 325.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23849821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).