[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride

C15H23Cl3N4S — CID 66989375

IUPAC[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride
SMILESCl.Cl.Cl.NCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C15H20N4S.3ClH/c16-9-12-4-7-19(8-5-12)11-13-10-18-15(20-13)14-3-1-2-6-17-14;;;/h1-3,6,10,12H,4-5,7-9,11,16H2;3*1H
InChIKeyMRGPSUKPEQFCPL-UHFFFAOYSA-N
MW397.80 g/mol
LogP3.64
Rot. Bonds4

About [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride

[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride (PubChem CID 66989375) has the molecular formula C15H23Cl3N4S and a molecular weight of 397.80 g/mol. Its IUPAC name is [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride.

Molecular Properties

Compound Name[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride
PubChem CID66989375
Molecular FormulaC15H23Cl3N4S
Molecular Weight397.80 g/mol
Exact Mass396.07
IUPAC Name[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride
SMILESCl.Cl.Cl.NCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C15H20N4S.3ClH/c16-9-12-4-7-19(8-5-12)11-13-10-18-15(20-13)14-3-1-2-6-17-14;;;/h1-3,6,10,12H,4-5,7-9,11,16H2;3*1H
InChIKeyMRGPSUKPEQFCPL-UHFFFAOYSA-N
XLogP3.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride?
The IUPAC name of [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride (CID 66989375) is [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride.
What is the SMILES notation for [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride?
The canonical SMILES for [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride is Cl.Cl.Cl.NCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1.
What is the InChIKey of [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride?
The InChIKey is MRGPSUKPEQFCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S.3ClH/c16-9-12-4-7-19(8-5-12)11-13-10-18-15(20-13)14-3-1-2-6-17-14;;;/h1-3,6,10,12H,4-5,7-9,11,16H2;3*1H.
What are the key properties of [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride?
[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride has a molecular weight of 397.80 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride is sourced from PubChem (CID 66989375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).