N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine

C15H18N2S — CID 56972603

IUPACN-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C)cs/c1=N\c1cc(C)cc(C)c1
InChIInChI=1S/C15H18N2S/c1-5-6-17-13(4)10-18-15(17)16-14-8-11(2)7-12(3)9-14/h5,7-10H,1,6H2,2-4H3/b16-15-
InChIKeyIGDQYYWCAIORPT-NXVVXOECSA-N
MW258.39 g/mol
LogP3.89
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine

N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 56972603) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID56972603
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C)cs/c1=N\c1cc(C)cc(C)c1
InChIInChI=1S/C15H18N2S/c1-5-6-17-13(4)10-18-15(17)16-14-8-11(2)7-12(3)9-14/h5,7-10H,1,6H2,2-4H3/b16-15-
InChIKeyIGDQYYWCAIORPT-NXVVXOECSA-N
XLogP3.89
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine (CID 56972603) is N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(C)cs/c1=N\c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is IGDQYYWCAIORPT-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2S/c1-5-6-17-13(4)10-18-15(17)16-14-8-11(2)7-12(3)9-14/h5,7-10H,1,6H2,2-4H3/b16-15-.
What are the key properties of N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine?
N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 258.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 56972603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).