2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine

C12H20N2S — CID 116967565

IUPAC2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1nc(C2CCC2)cs1
InChIInChI=1S/C12H20N2S/c1-3-9(7-13-2)12-14-11(8-15-12)10-5-4-6-10/h8-10,13H,3-7H2,1-2H3
InChIKeyHRHAWSSGCZRTQF-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine

2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine (PubChem CID 116967565) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine
PubChem CID116967565
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1nc(C2CCC2)cs1
InChIInChI=1S/C12H20N2S/c1-3-9(7-13-2)12-14-11(8-15-12)10-5-4-6-10/h8-10,13H,3-7H2,1-2H3
InChIKeyHRHAWSSGCZRTQF-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine (CID 116967565) is 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine is CCC(CNC)c1nc(C2CCC2)cs1.
What is the InChIKey of 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine?
The InChIKey is HRHAWSSGCZRTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-9(7-13-2)12-14-11(8-15-12)10-5-4-6-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine?
2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 116967565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).