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

C12H21N3S — CID 46785724

IUPACN-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(N2CCCCC2)nc1C
InChIInChI=1S/C12H21N3S/c1-3-13-9-11-10(2)14-12(16-11)15-7-5-4-6-8-15/h13H,3-9H2,1-2H3
InChIKeyVTVQDRSGLYTMNZ-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.55
Rot. Bonds4

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

N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 46785724) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID46785724
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(N2CCCCC2)nc1C
InChIInChI=1S/C12H21N3S/c1-3-13-9-11-10(2)14-12(16-11)15-7-5-4-6-8-15/h13H,3-9H2,1-2H3
InChIKeyVTVQDRSGLYTMNZ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine (CID 46785724) is N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine is CCNCc1sc(N2CCCCC2)nc1C.
What is the InChIKey of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is VTVQDRSGLYTMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-13-9-11-10(2)14-12(16-11)15-7-5-4-6-8-15/h13H,3-9H2,1-2H3.
What are the key properties of N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 46785724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).