N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

C12H21N3S — CID 106741005

IUPACN-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCC1CC(CN(C)Cc2cscn2)CCN1
InChIInChI=1S/C12H21N3S/c1-10-5-11(3-4-13-10)6-15(2)7-12-8-16-9-14-12/h8-11,13H,3-7H2,1-2H3
InChIKeyDKNZABGOQMHYJH-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.96
Rot. Bonds4

About N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 106741005) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID106741005
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCC1CC(CN(C)Cc2cscn2)CCN1
InChIInChI=1S/C12H21N3S/c1-10-5-11(3-4-13-10)6-15(2)7-12-8-16-9-14-12/h8-11,13H,3-7H2,1-2H3
InChIKeyDKNZABGOQMHYJH-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.96
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-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 106741005) is N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is CC1CC(CN(C)Cc2cscn2)CCN1.
What is the InChIKey of N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is DKNZABGOQMHYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-5-11(3-4-13-10)6-15(2)7-12-8-16-9-14-12/h8-11,13H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 239.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 106741005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).