1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

C11H19N3S — CID 62751244

IUPAC1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCCCC2)s1
InChIInChI=1S/C11H19N3S/c1-12-8-10-9-13-11(15-10)14-6-4-2-3-5-7-14/h9,12H,2-8H2,1H3
InChIKeyHSEBLNQBUPFBKL-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.24
Rot. Bonds3

About 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 62751244) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID62751244
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCCCC2)s1
InChIInChI=1S/C11H19N3S/c1-12-8-10-9-13-11(15-10)14-6-4-2-3-5-7-14/h9,12H,2-8H2,1H3
InChIKeyHSEBLNQBUPFBKL-UHFFFAOYSA-N
XLogP2.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 62751244) is 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1cnc(N2CCCCCC2)s1.
What is the InChIKey of 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is HSEBLNQBUPFBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-12-8-10-9-13-11(15-10)14-6-4-2-3-5-7-14/h9,12H,2-8H2,1H3.
What are the key properties of 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62751244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).