2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride

C12H22ClN3S — CID 120728713

IUPAC2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1nc(CN2CCCC(CCN)C2)cs1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-10-14-12(9-16-10)8-15-6-2-3-11(7-15)4-5-13;/h9,11H,2-8,13H2,1H3;1H
InChIKeyRRNKXLBKXRQKMN-UHFFFAOYSA-N
MW275.85 g/mol
LogP2.43
Rot. Bonds4

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

2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728713) has the molecular formula C12H22ClN3S and a molecular weight of 275.85 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728713
Molecular FormulaC12H22ClN3S
Molecular Weight275.85 g/mol
Exact Mass275.12
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1nc(CN2CCCC(CCN)C2)cs1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-10-14-12(9-16-10)8-15-6-2-3-11(7-15)4-5-13;/h9,11H,2-8,13H2,1H3;1H
InChIKeyRRNKXLBKXRQKMN-UHFFFAOYSA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.85
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728713) is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride is Cc1nc(CN2CCCC(CCN)C2)cs1.Cl.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is RRNKXLBKXRQKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S.ClH/c1-10-14-12(9-16-10)8-15-6-2-3-11(7-15)4-5-13;/h9,11H,2-8,13H2,1H3;1H.
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 275.85 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).