1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine

C15H24N2S — CID 112743764

IUPAC1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C(C2CCC2)C2CCC2)s1
InChIInChI=1S/C15H24N2S/c1-10(16-2)13-9-17-15(18-13)14(11-5-3-6-11)12-7-4-8-12/h9-12,14,16H,3-8H2,1-2H3
InChIKeyNFOKIAVXZYLFLA-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.11
Rot. Bonds5

About 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 112743764) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID112743764
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C(C2CCC2)C2CCC2)s1
InChIInChI=1S/C15H24N2S/c1-10(16-2)13-9-17-15(18-13)14(11-5-3-6-11)12-7-4-8-12/h9-12,14,16H,3-8H2,1-2H3
InChIKeyNFOKIAVXZYLFLA-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine (CID 112743764) is 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(C(C2CCC2)C2CCC2)s1.
What is the InChIKey of 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is NFOKIAVXZYLFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-10(16-2)13-9-17-15(18-13)14(11-5-3-6-11)12-7-4-8-12/h9-12,14,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 264.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 112743764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).