N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine

C19H25N3S — CID 23767327

IUPACN-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(C)cc2)n1N=C1CCC(C)CC1
InChIInChI=1S/C19H25N3S/c1-4-20-19-22(21-17-11-7-15(3)8-12-17)18(13-23-19)16-9-5-14(2)6-10-16/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/b20-19-,21-17-
InChIKeyKAFOQHUQHLSELY-WVXGXKFUSA-N
MW327.50 g/mol
LogP4.86
Rot. Bonds3

About N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine

N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 23767327) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID23767327
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC NameN-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(C)cc2)n1N=C1CCC(C)CC1
InChIInChI=1S/C19H25N3S/c1-4-20-19-22(21-17-11-7-15(3)8-12-17)18(13-23-19)16-9-5-14(2)6-10-16/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/b20-19-,21-17-
InChIKeyKAFOQHUQHLSELY-WVXGXKFUSA-N
XLogP4.86
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 23767327) is N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(C)cc2)n1N=C1CCC(C)CC1.
What is the InChIKey of N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is KAFOQHUQHLSELY-WVXGXKFUSA-N. The full InChI is InChI=1S/C19H25N3S/c1-4-20-19-22(21-17-11-7-15(3)8-12-17)18(13-23-19)16-9-5-14(2)6-10-16/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/b20-19-,21-17-.
What are the key properties of N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine?
N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 327.50 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23767327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).