1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine

C13H23N3S — CID 54963110

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCCCN2)s1
InChIInChI=1S/C13H23N3S/c1-9(13-10(2)16-11(3)17-13)15-8-12-6-4-5-7-14-12/h9,12,14-15H,4-8H2,1-3H3
InChIKeyMGTYGWKHFROIGV-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.55
Rot. Bonds4

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 54963110) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID54963110
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCCCN2)s1
InChIInChI=1S/C13H23N3S/c1-9(13-10(2)16-11(3)17-13)15-8-12-6-4-5-7-14-12/h9,12,14-15H,4-8H2,1-3H3
InChIKeyMGTYGWKHFROIGV-UHFFFAOYSA-N
XLogP2.55
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 64569173
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
CID 114430915
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 66471027
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622746
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603240
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-3-ylethyl)ethanamine
CID 62676178
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 61192868
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628409
(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 61193687

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine (CID 54963110) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine is Cc1nc(C)c(C(C)NCC2CCCCN2)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is MGTYGWKHFROIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(13-10(2)16-11(3)17-13)15-8-12-6-4-5-7-14-12/h9,12,14-15H,4-8H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 54963110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).