[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine

C11H18N2S — CID 164652954

IUPAC[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine
SMILESCc1ncc(CC2(CN)CC(C)C2)s1
InChIInChI=1S/C11H18N2S/c1-8-3-11(4-8,7-12)5-10-6-13-9(2)14-10/h6,8H,3-5,7,12H2,1-2H3
InChIKeyXKRDTHWLZYRTQJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.37
Rot. Bonds3

About [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine

[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine (PubChem CID 164652954) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine
PubChem CID164652954
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine
SMILESCc1ncc(CC2(CN)CC(C)C2)s1
InChIInChI=1S/C11H18N2S/c1-8-3-11(4-8,7-12)5-10-6-13-9(2)14-10/h6,8H,3-5,7,12H2,1-2H3
InChIKeyXKRDTHWLZYRTQJ-UHFFFAOYSA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine (CID 164652954) is [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine is Cc1ncc(CC2(CN)CC(C)C2)s1.
What is the InChIKey of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine?
The InChIKey is XKRDTHWLZYRTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-3-11(4-8,7-12)5-10-6-13-9(2)14-10/h6,8H,3-5,7,12H2,1-2H3.
What are the key properties of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine?
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 164652954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).