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

C15H22ClN5O2S — CID 119817391

IUPAC2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1csc(CN)n1)c1nc(C2CCCCC2)no1.Cl
InChIInChI=1S/C15H21N5O2S.ClH/c1-9(17-14(21)11-8-23-12(7-16)18-11)15-19-13(20-22-15)10-5-3-2-4-6-10;/h8-10H,2-7,16H2,1H3,(H,17,21);1H
InChIKeyDJVBJXCFJGHEML-UHFFFAOYSA-N
MW371.89 g/mol
LogP2.95
Rot. Bonds5

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

2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119817391) has the molecular formula C15H22ClN5O2S and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119817391
Molecular FormulaC15H22ClN5O2S
Molecular Weight371.89 g/mol
Exact Mass371.12
IUPAC Name2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1csc(CN)n1)c1nc(C2CCCCC2)no1.Cl
InChIInChI=1S/C15H21N5O2S.ClH/c1-9(17-14(21)11-8-23-12(7-16)18-11)15-19-13(20-22-15)10-5-3-2-4-6-10;/h8-10H,2-7,16H2,1H3,(H,17,21);1H
InChIKeyDJVBJXCFJGHEML-UHFFFAOYSA-N
XLogP2.95
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 119773224
2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817329
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 136515591
1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96520156
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119817373
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119817371

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119817391) is 2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(NC(=O)c1csc(CN)n1)c1nc(C2CCCCC2)no1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is DJVBJXCFJGHEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S.ClH/c1-9(17-14(21)11-8-23-12(7-16)18-11)15-19-13(20-22-15)10-5-3-2-4-6-10;/h8-10H,2-7,16H2,1H3,(H,17,21);1H.
What are the key properties of 2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 371.89 g/mol, XLogP of 2.95, 5 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-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119817391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).