2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride

C15H19ClN4O2S — CID 120632455

IUPAC2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)N(CC(N)=O)Cc2ccccc2)cs1
InChIInChI=1S/C15H18N4O2S.ClH/c16-7-6-14-18-12(10-22-14)15(21)19(9-13(17)20)8-11-4-2-1-3-5-11;/h1-5,10H,6-9,16H2,(H2,17,20);1H
InChIKeyWYLQLZNRUJUJHO-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.19
Rot. Bonds7

About 2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120632455) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120632455
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)N(CC(N)=O)Cc2ccccc2)cs1
InChIInChI=1S/C15H18N4O2S.ClH/c16-7-6-14-18-12(10-22-14)15(21)19(9-13(17)20)8-11-4-2-1-3-5-11;/h1-5,10H,6-9,16H2,(H2,17,20);1H
InChIKeyWYLQLZNRUJUJHO-UHFFFAOYSA-N
XLogP1.19
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride (CID 120632455) is 2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)N(CC(N)=O)Cc2ccccc2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is WYLQLZNRUJUJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S.ClH/c16-7-6-14-18-12(10-22-14)15(21)19(9-13(17)20)8-11-4-2-1-3-5-11;/h1-5,10H,6-9,16H2,(H2,17,20);1H.
What are the key properties of 2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 354.86 g/mol, XLogP of 1.19, 7 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-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).