2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C15H22Cl2N4O2S — CID 119844245

IUPAC2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C)CCOc1ccc(NC(=O)c2csc(CN)n2)cc1.Cl.Cl
InChIInChI=1S/C15H20N4O2S.2ClH/c1-19(2)7-8-21-12-5-3-11(4-6-12)17-15(20)13-10-22-14(9-16)18-13;;/h3-6,10H,7-9,16H2,1-2H3,(H,17,20);2*1H
InChIKeyGYSXTUSSDHOSTK-UHFFFAOYSA-N
MW393.34 g/mol
LogP2.64
Rot. Bonds7

About 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119844245) has the molecular formula C15H22Cl2N4O2S and a molecular weight of 393.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119844245
Molecular FormulaC15H22Cl2N4O2S
Molecular Weight393.34 g/mol
Exact Mass392.08
IUPAC Name2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C)CCOc1ccc(NC(=O)c2csc(CN)n2)cc1.Cl.Cl
InChIInChI=1S/C15H20N4O2S.2ClH/c1-19(2)7-8-21-12-5-3-11(4-6-12)17-15(20)13-10-22-14(9-16)18-13;;/h3-6,10H,7-9,16H2,1-2H3,(H,17,20);2*1H
InChIKeyGYSXTUSSDHOSTK-UHFFFAOYSA-N
XLogP2.64
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119713421
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
2-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 119786465
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641621
2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119739512
2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119712742
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376658
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119844245) is 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CN(C)CCOc1ccc(NC(=O)c2csc(CN)n2)cc1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is GYSXTUSSDHOSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.2ClH/c1-19(2)7-8-21-12-5-3-11(4-6-12)17-15(20)13-10-22-14(9-16)18-13;;/h3-6,10H,7-9,16H2,1-2H3,(H,17,20);2*1H.
What are the key properties of 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 393.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119844245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).