N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine

C18H18N2S — CID 14200028

IUPACN-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine
SMILESCC1(C)N=C(c2ccccc2)S/C1=N\Cc1ccccc1
InChIInChI=1S/C18H18N2S/c1-18(2)17(19-13-14-9-5-3-6-10-14)21-16(20-18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3/b19-17-
InChIKeyRHWZTSSCOYQDDA-ZPHPHTNESA-N
MW294.42 g/mol
LogP4.56
Rot. Bonds3

About N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine

N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine (PubChem CID 14200028) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine.

Molecular Properties

Compound NameN-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine
PubChem CID14200028
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine
SMILESCC1(C)N=C(c2ccccc2)S/C1=N\Cc1ccccc1
InChIInChI=1S/C18H18N2S/c1-18(2)17(19-13-14-9-5-3-6-10-14)21-16(20-18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3/b19-17-
InChIKeyRHWZTSSCOYQDDA-ZPHPHTNESA-N
XLogP4.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine?
The IUPAC name of N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine (CID 14200028) is N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine.
What is the SMILES notation for N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine?
The canonical SMILES for N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine is CC1(C)N=C(c2ccccc2)S/C1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine?
The InChIKey is RHWZTSSCOYQDDA-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H18N2S/c1-18(2)17(19-13-14-9-5-3-6-10-14)21-16(20-18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3/b19-17-.
What are the key properties of N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine?
N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine has a molecular weight of 294.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine is sourced from PubChem (CID 14200028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).