3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine

C16H22N2S — CID 56972600

IUPAC3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine
SMILESCCC(C)n1c(C)cs/c1=N\c1cc(C)cc(C)c1
InChIInChI=1S/C16H22N2S/c1-6-13(4)18-14(5)10-19-16(18)17-15-8-11(2)7-12(3)9-15/h7-10,13H,6H2,1-5H3/b17-16-
InChIKeyOBKUXISTNPLITM-MSUUIHNZSA-N
MW274.43 g/mol
LogP4.68
Rot. Bonds3

About 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine

3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine (PubChem CID 56972600) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine
PubChem CID56972600
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine
SMILESCCC(C)n1c(C)cs/c1=N\c1cc(C)cc(C)c1
InChIInChI=1S/C16H22N2S/c1-6-13(4)18-14(5)10-19-16(18)17-15-8-11(2)7-12(3)9-15/h7-10,13H,6H2,1-5H3/b17-16-
InChIKeyOBKUXISTNPLITM-MSUUIHNZSA-N
XLogP4.68
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine (CID 56972600) is 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine is CCC(C)n1c(C)cs/c1=N\c1cc(C)cc(C)c1.
What is the InChIKey of 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine?
The InChIKey is OBKUXISTNPLITM-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H22N2S/c1-6-13(4)18-14(5)10-19-16(18)17-15-8-11(2)7-12(3)9-15/h7-10,13H,6H2,1-5H3/b17-16-.
What are the key properties of 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine?
3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine has a molecular weight of 274.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(3,5-dimethylphenyl)-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 56972600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).