1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C9H12N4OS — CID 62651223

IUPAC1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ncsc1-c1nc(CC(C)N)no1
InChIInChI=1S/C9H12N4OS/c1-5(10)3-7-12-9(14-13-7)8-6(2)11-4-15-8/h4-5H,3,10H2,1-2H3
InChIKeyXUEVEXXNBKUHBH-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.39
Rot. Bonds3

About 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 62651223) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID62651223
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ncsc1-c1nc(CC(C)N)no1
InChIInChI=1S/C9H12N4OS/c1-5(10)3-7-12-9(14-13-7)8-6(2)11-4-15-8/h4-5H,3,10H2,1-2H3
InChIKeyXUEVEXXNBKUHBH-UHFFFAOYSA-N
XLogP1.39
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 62651223) is 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is Cc1ncsc1-c1nc(CC(C)N)no1.
What is the InChIKey of 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is XUEVEXXNBKUHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-5(10)3-7-12-9(14-13-7)8-6(2)11-4-15-8/h4-5H,3,10H2,1-2H3.
What are the key properties of 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 224.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 62651223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).