2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine

C12H20N2S — CID 79329546

IUPAC2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine
SMILESCCNCC(=Cc1sc(C)nc1C)CC
InChIInChI=1S/C12H20N2S/c1-5-11(8-13-6-2)7-12-9(3)14-10(4)15-12/h7,13H,5-6,8H2,1-4H3
InChIKeyYGLLEFNTSRFWOQ-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.16
Rot. Bonds5

About 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine (PubChem CID 79329546) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine
PubChem CID79329546
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine
SMILESCCNCC(=Cc1sc(C)nc1C)CC
InChIInChI=1S/C12H20N2S/c1-5-11(8-13-6-2)7-12-9(3)14-10(4)15-12/h7,13H,5-6,8H2,1-4H3
InChIKeyYGLLEFNTSRFWOQ-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine (CID 79329546) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine is CCNCC(=Cc1sc(C)nc1C)CC.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine?
The InChIKey is YGLLEFNTSRFWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-5-11(8-13-6-2)7-12-9(3)14-10(4)15-12/h7,13H,5-6,8H2,1-4H3.
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine?
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine is sourced from PubChem (CID 79329546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).