2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C18H27Cl2N5O2S — CID 120641712

IUPAC2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CN(c2ccc(CNC(=O)c3csc(CCN)n3)cn2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H25N5O2S.2ClH/c1-12-9-23(10-13(2)25-12)16-4-3-14(7-20-16)8-21-18(24)15-11-26-17(22-15)5-6-19;;/h3-4,7,11-13H,5-6,8-10,19H2,1-2H3,(H,21,24);2*1H
InChIKeyJJLAQEIXLIHPCH-UHFFFAOYSA-N
MW448.42 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120641712) has the molecular formula C18H27Cl2N5O2S and a molecular weight of 448.42 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120641712
Molecular FormulaC18H27Cl2N5O2S
Molecular Weight448.42 g/mol
Exact Mass447.13
IUPAC Name2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CN(c2ccc(CNC(=O)c3csc(CCN)n3)cn2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H25N5O2S.2ClH/c1-12-9-23(10-13(2)25-12)16-4-3-14(7-20-16)8-21-18(24)15-11-26-17(22-15)5-6-19;;/h3-4,7,11-13H,5-6,8-10,19H2,1-2H3,(H,21,24);2*1H
InChIKeyJJLAQEIXLIHPCH-UHFFFAOYSA-N
XLogP2.43
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 46487138
2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 120640870
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620358
2-(aminomethyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119848605
2-(2-aminoethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641597
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120641712) is 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC1CN(c2ccc(CNC(=O)c3csc(CCN)n3)cn2)CC(C)O1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is JJLAQEIXLIHPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S.2ClH/c1-12-9-23(10-13(2)25-12)16-4-3-14(7-20-16)8-21-18(24)15-11-26-17(22-15)5-6-19;;/h3-4,7,11-13H,5-6,8-10,19H2,1-2H3,(H,21,24);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 448.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120641712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).