2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C12H24Cl2N4OS — CID 120639262

IUPAC2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1csc(CCN)n1.Cl.Cl
InChIInChI=1S/C12H22N4OS.2ClH/c1-3-16(4-2)8-7-14-12(17)10-9-18-11(15-10)5-6-13;;/h9H,3-8,13H2,1-2H3,(H,14,17);2*1H
InChIKeyXAAQXAOHGUQIIP-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.56
Rot. Bonds8

About 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120639262) has the molecular formula C12H24Cl2N4OS and a molecular weight of 343.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120639262
Molecular FormulaC12H24Cl2N4OS
Molecular Weight343.32 g/mol
Exact Mass342.10
IUPAC Name2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1csc(CCN)n1.Cl.Cl
InChIInChI=1S/C12H22N4OS.2ClH/c1-3-16(4-2)8-7-14-12(17)10-9-18-11(15-10)5-6-13;;/h9H,3-8,13H2,1-2H3,(H,14,17);2*1H
InChIKeyXAAQXAOHGUQIIP-UHFFFAOYSA-N
XLogP1.56
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639449
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640026
2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640468
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 106047628
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-(4-ethoxybutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622259
2-[2-[2-(diethylamino)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373322
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618225
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120639262) is 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCN(CC)CCNC(=O)c1csc(CCN)n1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is XAAQXAOHGUQIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS.2ClH/c1-3-16(4-2)8-7-14-12(17)10-9-18-11(15-10)5-6-13;;/h9H,3-8,13H2,1-2H3,(H,14,17);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 343.32 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120639262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).