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

C12H21N3S — CID 115614958

IUPAC2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCN1CCC(CCNCc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-15-7-3-11(4-8-15)2-5-13-10-12-14-6-9-16-12/h6,9,11,13H,2-5,7-8,10H2,1H3
InChIKeyVUXNUMKMEWEJCX-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.96
Rot. Bonds5

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

2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 115614958) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID115614958
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCN1CCC(CCNCc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-15-7-3-11(4-8-15)2-5-13-10-12-14-6-9-16-12/h6,9,11,13H,2-5,7-8,10H2,1H3
InChIKeyVUXNUMKMEWEJCX-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 46784228
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515349
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
CID 65075080
4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine
CID 66936261
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 55248695
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol
CID 131893362
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515582
N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 115599545
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615117

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 115614958) is 2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is CN1CCC(CCNCc2nccs2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is VUXNUMKMEWEJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-15-7-3-11(4-8-15)2-5-13-10-12-14-6-9-16-12/h6,9,11,13H,2-5,7-8,10H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 239.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 115614958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).