5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide

C8H9N5O2S — CID 102790239

IUPAC5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(CN)sc1-c1nc(C(N)=O)no1
InChIInChI=1S/C8H9N5O2S/c1-3-5(16-4(2-9)11-3)8-12-7(6(10)14)13-15-8/h2,9H2,1H3,(H2,10,14)
InChIKeyLNGNJGRDAIQHOS-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.06
Rot. Bonds3

About 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide

5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790239) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790239
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(CN)sc1-c1nc(C(N)=O)no1
InChIInChI=1S/C8H9N5O2S/c1-3-5(16-4(2-9)11-3)8-12-7(6(10)14)13-15-8/h2,9H2,1H3,(H2,10,14)
InChIKeyLNGNJGRDAIQHOS-UHFFFAOYSA-N
XLogP0.06
TPSA120.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790929
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
[4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63630049
[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 65401214
[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 116704279
5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790092
[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63629547
[5-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 116703734
5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 106527841
ethyl 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-1,2,4-triazole-3-carboxylate
CID 66289868
1-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854311
1-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854310

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide (CID 102790239) is 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide is Cc1nc(CN)sc1-c1nc(C(N)=O)no1.
What is the InChIKey of 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LNGNJGRDAIQHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-3-5(16-4(2-9)11-3)8-12-7(6(10)14)13-15-8/h2,9H2,1H3,(H2,10,14).
What are the key properties of 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 239.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).