[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine

C9H14N2S — CID 82601461

IUPAC[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
SMILESCc1nc(C2(CN)CCC2)cs1
InChIInChI=1S/C9H14N2S/c1-7-11-8(5-12-7)9(6-10)3-2-4-9/h5H,2-4,6,10H2,1H3
InChIKeyOJGGTZFYLDABLJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.83
Rot. Bonds2

About [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine

[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine (PubChem CID 82601461) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
PubChem CID82601461
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
SMILESCc1nc(C2(CN)CCC2)cs1
InChIInChI=1S/C9H14N2S/c1-7-11-8(5-12-7)9(6-10)3-2-4-9/h5H,2-4,6,10H2,1H3
InChIKeyOJGGTZFYLDABLJ-UHFFFAOYSA-N
XLogP1.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine (CID 82601461) is [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine is Cc1nc(C2(CN)CCC2)cs1.
What is the InChIKey of [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
The InChIKey is OJGGTZFYLDABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-11-8(5-12-7)9(6-10)3-2-4-9/h5H,2-4,6,10H2,1H3.
What are the key properties of [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82601461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).