3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine

C22H26N2S — CID 18813168

IUPAC3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCCCCCCn1c(-c2ccccc2)cs/c1=N\c1ccc(C)cc1
InChIInChI=1S/C22H26N2S/c1-3-4-5-9-16-24-21(19-10-7-6-8-11-19)17-25-22(24)23-20-14-12-18(2)13-15-20/h6-8,10-15,17H,3-5,9,16H2,1-2H3/b23-22-
InChIKeyHUHYJZHMYDEMQC-FCQUAONHSA-N
MW350.53 g/mol
LogP6.34
Rot. Bonds7

About 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine

3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 18813168) has the molecular formula C22H26N2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID18813168
Molecular FormulaC22H26N2S
Molecular Weight350.53 g/mol
Exact Mass350.18
IUPAC Name3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCCCCCCn1c(-c2ccccc2)cs/c1=N\c1ccc(C)cc1
InChIInChI=1S/C22H26N2S/c1-3-4-5-9-16-24-21(19-10-7-6-8-11-19)17-25-22(24)23-20-14-12-18(2)13-15-20/h6-8,10-15,17H,3-5,9,16H2,1-2H3/b23-22-
InChIKeyHUHYJZHMYDEMQC-FCQUAONHSA-N
XLogP6.34
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
CID 18812697
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine
CID 7614915
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 44761956
3-butyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine
CID 3479785
N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-pentyl-1,3-thiazol-2-imine
CID 18813162
3-hexyl-4-phenyl-1,3-thiazole-2-thione
CID 118667967
N,N-dimethyl-3-(3-pentyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
CID 2027730
4-[(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)amino]benzoic acid
CID 23762242
N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 584019

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine (CID 18813168) is 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine is CCCCCCn1c(-c2ccccc2)cs/c1=N\c1ccc(C)cc1.
What is the InChIKey of 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is HUHYJZHMYDEMQC-FCQUAONHSA-N. The full InChI is InChI=1S/C22H26N2S/c1-3-4-5-9-16-24-21(19-10-7-6-8-11-19)17-25-22(24)23-20-14-12-18(2)13-15-20/h6-8,10-15,17H,3-5,9,16H2,1-2H3/b23-22-.
What are the key properties of 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine?
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 350.53 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 18813168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).