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

C11H13N5O2S — CID 102790929

IUPAC5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(CN)sc1-c1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C11H13N5O2S/c1-5-8(19-7(4-12)13-5)11-15-9(16-18-11)10(17)14-6-2-3-6/h6H,2-4,12H2,1H3,(H,14,17)
InChIKeyITFOECLOBQOAOC-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.85
Rot. Bonds4

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

5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790929) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790929
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(CN)sc1-c1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C11H13N5O2S/c1-5-8(19-7(4-12)13-5)11-15-9(16-18-11)10(17)14-6-2-3-6/h6H,2-4,12H2,1H3,(H,14,17)
InChIKeyITFOECLOBQOAOC-UHFFFAOYSA-N
XLogP0.85
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790239
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 82117272
[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63629547
5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790953
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 4175475
[5-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 116703734
5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 107496461
5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790749
5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790988
5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790819
N-cyclopropyl-5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790924

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102790929) is 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(CN)sc1-c1nc(C(=O)NC2CC2)no1.
What is the InChIKey of 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ITFOECLOBQOAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-5-8(19-7(4-12)13-5)11-15-9(16-18-11)10(17)14-6-2-3-6/h6H,2-4,12H2,1H3,(H,14,17).
What are the key properties of 5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.85, 4 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]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).