(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine

C13H16N2S — CID 5411397

IUPAC(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine
SMILESC/C(=N/C1=NCCS1)c1ccc(C)c(C)c1
InChIInChI=1S/C13H16N2S/c1-9-4-5-12(8-10(9)2)11(3)15-13-14-6-7-16-13/h4-5,8H,6-7H2,1-3H3/b15-11-
InChIKeyWQRWZTWHEPKMOV-PTNGSMBKSA-N
MW232.35 g/mol
LogP3.22
Rot. Bonds1

About (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine

(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine (PubChem CID 5411397) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine.

Molecular Properties

Compound Name(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine
PubChem CID5411397
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine
SMILESC/C(=N/C1=NCCS1)c1ccc(C)c(C)c1
InChIInChI=1S/C13H16N2S/c1-9-4-5-12(8-10(9)2)11(3)15-13-14-6-7-16-13/h4-5,8H,6-7H2,1-3H3/b15-11-
InChIKeyWQRWZTWHEPKMOV-PTNGSMBKSA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.22
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 (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine?
The IUPAC name of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine (CID 5411397) is (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine.
What is the SMILES notation for (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine?
The canonical SMILES for (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine is C/C(=N/C1=NCCS1)c1ccc(C)c(C)c1.
What is the InChIKey of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine?
The InChIKey is WQRWZTWHEPKMOV-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-4-5-12(8-10(9)2)11(3)15-13-14-6-7-16-13/h4-5,8H,6-7H2,1-3H3/b15-11-.
What are the key properties of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine?
(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine has a molecular weight of 232.35 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)ethanimine is sourced from PubChem (CID 5411397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).