N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine

C19H20N2S — CID 584019

IUPACN-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccccc2)cs/c1=N\c1ccc(C)c(C)c1
InChIInChI=1S/C19H20N2S/c1-4-21-18(16-8-6-5-7-9-16)13-22-19(21)20-17-11-10-14(2)15(3)12-17/h5-13H,4H2,1-3H3/b20-19-
InChIKeyXMLSAKGJHMBODU-VXPUYCOJSA-N
MW308.45 g/mol
LogP5.09
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine

N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine (PubChem CID 584019) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine
PubChem CID584019
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC NameN-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccccc2)cs/c1=N\c1ccc(C)c(C)c1
InChIInChI=1S/C19H20N2S/c1-4-21-18(16-8-6-5-7-9-16)13-22-19(21)20-17-11-10-14(2)15(3)12-17/h5-13H,4H2,1-3H3/b20-19-
InChIKeyXMLSAKGJHMBODU-VXPUYCOJSA-N
XLogP5.09
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
4-[(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)amino]benzoic acid
CID 23762242
4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
CID 1037728
N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
CID 45125365
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168
3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 5170510
3-butyl-N-(3,4-dimethylphenyl)-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 23829109
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727
3-ethyl-4-(4-phenylphenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2-imine;hydrobromide
CID 44788673
4-phenyl-N-(4-phenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125396

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine (CID 584019) is N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine is CCn1c(-c2ccccc2)cs/c1=N\c1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is XMLSAKGJHMBODU-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2S/c1-4-21-18(16-8-6-5-7-9-16)13-22-19(21)20-17-11-10-14(2)15(3)12-17/h5-13H,4H2,1-3H3/b20-19-.
What are the key properties of N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine?
N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 308.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 584019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).