1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine

C12H20N2S — CID 116969458

IUPAC1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCCc1csc(CC2(CNC)CCC2)n1
InChIInChI=1S/C12H20N2S/c1-3-10-8-15-11(14-10)7-12(9-13-2)5-4-6-12/h8,13H,3-7,9H2,1-2H3
InChIKeyOATSQDRIGZAXAI-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.64
Rot. Bonds5

About 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine

1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine (PubChem CID 116969458) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine
PubChem CID116969458
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCCc1csc(CC2(CNC)CCC2)n1
InChIInChI=1S/C12H20N2S/c1-3-10-8-15-11(14-10)7-12(9-13-2)5-4-6-12/h8,13H,3-7,9H2,1-2H3
InChIKeyOATSQDRIGZAXAI-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine (CID 116969458) is 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine is CCc1csc(CC2(CNC)CCC2)n1.
What is the InChIKey of 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine?
The InChIKey is OATSQDRIGZAXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-10-8-15-11(14-10)7-12(9-13-2)5-4-6-12/h8,13H,3-7,9H2,1-2H3.
What are the key properties of 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine?
1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116969458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).