2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride

C11H14ClN3OS2 — CID 119687938

IUPAC2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCCc2cccs2)cs1
InChIInChI=1S/C11H13N3OS2.ClH/c12-6-10-14-9(7-17-10)11(15)13-4-3-8-2-1-5-16-8;/h1-2,5,7H,3-4,6,12H2,(H,13,15);1H
InChIKeyONCWQOWPEYWWLY-UHFFFAOYSA-N
MW303.84 g/mol
LogP2.06
Rot. Bonds5

About 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119687938) has the molecular formula C11H14ClN3OS2 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119687938
Molecular FormulaC11H14ClN3OS2
Molecular Weight303.84 g/mol
Exact Mass303.03
IUPAC Name2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCCc2cccs2)cs1
InChIInChI=1S/C11H13N3OS2.ClH/c12-6-10-14-9(7-17-10)11(15)13-4-3-8-2-1-5-16-8;/h1-2,5,7H,3-4,6,12H2,(H,13,15);1H
InChIKeyONCWQOWPEYWWLY-UHFFFAOYSA-N
XLogP2.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
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CID 119772378
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
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CID 103006505
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
2-(aminomethyl)-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119798217
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
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6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide
CID 119867801
2-(aminomethyl)-N-[3-[benzyl(methyl)amino]butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119687938) is 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)NCCc2cccs2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ONCWQOWPEYWWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2.ClH/c12-6-10-14-9(7-17-10)11(15)13-4-3-8-2-1-5-16-8;/h1-2,5,7H,3-4,6,12H2,(H,13,15);1H.
What are the key properties of 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119687938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).