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

C9H14N2S — CID 164650946

IUPACN-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine
SMILESCNCC1CCC1c1cncs1
InChIInChI=1S/C9H14N2S/c1-10-4-7-2-3-8(7)9-5-11-6-12-9/h5-8,10H,2-4H2,1H3
InChIKeyCPTYJXNNCWWDKH-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.86
Rot. Bonds3

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

N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine (PubChem CID 164650946) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine
PubChem CID164650946
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine
SMILESCNCC1CCC1c1cncs1
InChIInChI=1S/C9H14N2S/c1-10-4-7-2-3-8(7)9-5-11-6-12-9/h5-8,10H,2-4H2,1H3
InChIKeyCPTYJXNNCWWDKH-UHFFFAOYSA-N
XLogP1.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine (CID 164650946) is N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine is CNCC1CCC1c1cncs1.
What is the InChIKey of N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine?
The InChIKey is CPTYJXNNCWWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-10-4-7-2-3-8(7)9-5-11-6-12-9/h5-8,10H,2-4H2,1H3.
What are the key properties of N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine?
N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 164650946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).