2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C13H20ClN5O2S — CID 119817329

IUPAC2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1csc(CN)n1)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C13H19N5O2S.ClH/c1-7(11-17-12(18-20-11)13(2,3)4)15-10(19)8-6-21-9(5-14)16-8;/h6-7H,5,14H2,1-4H3,(H,15,19);1H
InChIKeyXRTBMSCYIZVTQM-UHFFFAOYSA-N
MW345.86 g/mol
LogP2.20
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119817329) has the molecular formula C13H20ClN5O2S and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119817329
Molecular FormulaC13H20ClN5O2S
Molecular Weight345.86 g/mol
Exact Mass345.10
IUPAC Name2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1csc(CN)n1)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C13H19N5O2S.ClH/c1-7(11-17-12(18-20-11)13(2,3)4)15-10(19)8-6-21-9(5-14)16-8;/h6-7H,5,14H2,1-4H3,(H,15,19);1H
InChIKeyXRTBMSCYIZVTQM-UHFFFAOYSA-N
XLogP2.20
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817391
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
CID 119817299
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356
2-(aminomethyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 119773224
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 79036145
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81375210
2-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377301
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 106212855
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119817329) is 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(NC(=O)c1csc(CN)n1)c1nc(C(C)(C)C)no1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is XRTBMSCYIZVTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S.ClH/c1-7(11-17-12(18-20-11)13(2,3)4)15-10(19)8-6-21-9(5-14)16-8;/h6-7H,5,14H2,1-4H3,(H,15,19);1H.
What are the key properties of 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 345.86 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119817329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).