2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C15H24Cl2N4OS2 — CID 119849775

IUPAC2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)c1csc(CN)n1)c1ccsc1.Cl.Cl
InChIInChI=1S/C15H22N4OS2.2ClH/c1-3-19(4-2)13(11-5-6-21-9-11)8-17-15(20)12-10-22-14(7-16)18-12;;/h5-6,9-10,13H,3-4,7-8,16H2,1-2H3,(H,17,20);2*1H
InChIKeyTUAPGSWNRWBRFL-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.32
Rot. Bonds8

About 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119849775) has the molecular formula C15H24Cl2N4OS2 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119849775
Molecular FormulaC15H24Cl2N4OS2
Molecular Weight411.42 g/mol
Exact Mass410.08
IUPAC Name2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)c1csc(CN)n1)c1ccsc1.Cl.Cl
InChIInChI=1S/C15H22N4OS2.2ClH/c1-3-19(4-2)13(11-5-6-21-9-11)8-17-15(20)12-10-22-14(7-16)18-12;;/h5-6,9-10,13H,3-4,7-8,16H2,1-2H3,(H,17,20);2*1H
InChIKeyTUAPGSWNRWBRFL-UHFFFAOYSA-N
XLogP3.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-(aminomethyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119837718
2-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119859473
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119795780
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119784039
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669669
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 115739469
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55843155
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849739

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119849775) is 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCN(CC)C(CNC(=O)c1csc(CN)n1)c1ccsc1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is TUAPGSWNRWBRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS2.2ClH/c1-3-19(4-2)13(11-5-6-21-9-11)8-17-15(20)12-10-22-14(7-16)18-12;;/h5-6,9-10,13H,3-4,7-8,16H2,1-2H3,(H,17,20);2*1H.
What are the key properties of 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 411.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119849775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).