2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C14H26Cl2N4O2S — CID 119841026

IUPAC2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CN(CCCNC(=O)c2csc(CN)n2)CC(C)O1.Cl.Cl
InChIInChI=1S/C14H24N4O2S.2ClH/c1-10-7-18(8-11(2)20-10)5-3-4-16-14(19)12-9-21-13(6-15)17-12;;/h9-11H,3-8,15H2,1-2H3,(H,16,19);2*1H
InChIKeyMDZNRWJSLLQCEC-UHFFFAOYSA-N
MW385.36 g/mol
LogP1.67
Rot. Bonds6

About 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119841026) has the molecular formula C14H26Cl2N4O2S and a molecular weight of 385.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119841026
Molecular FormulaC14H26Cl2N4O2S
Molecular Weight385.36 g/mol
Exact Mass384.12
IUPAC Name2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CN(CCCNC(=O)c2csc(CN)n2)CC(C)O1.Cl.Cl
InChIInChI=1S/C14H24N4O2S.2ClH/c1-10-7-18(8-11(2)20-10)5-3-4-16-14(19)12-9-21-13(6-15)17-12;;/h9-11H,3-8,15H2,1-2H3,(H,16,19);2*1H
InChIKeyMDZNRWJSLLQCEC-UHFFFAOYSA-N
XLogP1.67
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119851279
2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119852710
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 119852920
2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373431
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(2-aminoethyl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373433
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 120640870
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119841026) is 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC1CN(CCCNC(=O)c2csc(CN)n2)CC(C)O1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is MDZNRWJSLLQCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S.2ClH/c1-10-7-18(8-11(2)20-10)5-3-4-16-14(19)12-9-21-13(6-15)17-12;;/h9-11H,3-8,15H2,1-2H3,(H,16,19);2*1H.
What are the key properties of 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 385.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119841026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).