2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C12H16Cl2N4OS — CID 120639332

IUPAC2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NCc2ccncc2)cs1
InChIInChI=1S/C12H14N4OS.2ClH/c13-4-1-11-16-10(8-18-11)12(17)15-7-9-2-5-14-6-3-9;;/h2-3,5-6,8H,1,4,7,13H2,(H,15,17);2*1H
InChIKeyJDBUPCBOAXEKLH-UHFFFAOYSA-N
MW335.26 g/mol
LogP1.81
Rot. Bonds5

About 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120639332) has the molecular formula C12H16Cl2N4OS and a molecular weight of 335.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120639332
Molecular FormulaC12H16Cl2N4OS
Molecular Weight335.26 g/mol
Exact Mass334.04
IUPAC Name2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NCc2ccncc2)cs1
InChIInChI=1S/C12H14N4OS.2ClH/c13-4-1-11-16-10(8-18-11)12(17)15-7-9-2-5-14-6-3-9;;/h2-3,5-6,8H,1,4,7,13H2,(H,15,17);2*1H
InChIKeyJDBUPCBOAXEKLH-UHFFFAOYSA-N
XLogP1.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620358
2-(2-aminoethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389365
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
2-(2-aminoethyl)-N-[[4-(butylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623733
2-(2-aminoethyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619699
2-(2-aminoethyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626099
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
2-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615950

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120639332) is 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCCc1nc(C(=O)NCc2ccncc2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is JDBUPCBOAXEKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS.2ClH/c13-4-1-11-16-10(8-18-11)12(17)15-7-9-2-5-14-6-3-9;;/h2-3,5-6,8H,1,4,7,13H2,(H,15,17);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 335.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120639332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).