2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C14H26Cl2N4OS — CID 119866579

IUPAC2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CCN(C(C)CNC(=O)c2csc(CN)n2)CC1.Cl.Cl
InChIInChI=1S/C14H24N4OS.2ClH/c1-10-3-5-18(6-4-10)11(2)8-16-14(19)12-9-20-13(7-15)17-12;;/h9-11H,3-8,15H2,1-2H3,(H,16,19);2*1H
InChIKeyJRGMQEAMERGXTM-UHFFFAOYSA-N
MW369.36 g/mol
LogP2.30
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119866579) has the molecular formula C14H26Cl2N4OS and a molecular weight of 369.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119866579
Molecular FormulaC14H26Cl2N4OS
Molecular Weight369.36 g/mol
Exact Mass368.12
IUPAC Name2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CCN(C(C)CNC(=O)c2csc(CN)n2)CC1.Cl.Cl
InChIInChI=1S/C14H24N4OS.2ClH/c1-10-3-5-18(6-4-10)11(2)8-16-14(19)12-9-20-13(7-15)17-12;;/h9-11H,3-8,15H2,1-2H3,(H,16,19);2*1H
InChIKeyJRGMQEAMERGXTM-UHFFFAOYSA-N
XLogP2.30
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(2-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66390454
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119856818
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 103814423
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 119856819
2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119784039
2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 115739469
2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119852710
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119795780
2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 52516283

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119866579) is 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC1CCN(C(C)CNC(=O)c2csc(CN)n2)CC1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is JRGMQEAMERGXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS.2ClH/c1-10-3-5-18(6-4-10)11(2)8-16-14(19)12-9-20-13(7-15)17-12;;/h9-11H,3-8,15H2,1-2H3,(H,16,19);2*1H.
What are the key properties of 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 369.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119866579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).