N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine

C12H21N3S — CID 115089955

IUPACN-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(C2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-9(13-2)11-8-14-12(16-11)10-4-6-15(3)7-5-10/h8-10,13H,4-7H2,1-3H3
InChIKeyXSQQOGPMOFKAJN-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 115089955) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID115089955
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(C2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-9(13-2)11-8-14-12(16-11)10-4-6-15(3)7-5-10/h8-10,13H,4-7H2,1-3H3
InChIKeyXSQQOGPMOFKAJN-UHFFFAOYSA-N
XLogP2.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 115089955) is N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(C2CCN(C)CC2)s1.
What is the InChIKey of N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XSQQOGPMOFKAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(13-2)11-8-14-12(16-11)10-4-6-15(3)7-5-10/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115089955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).