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

C9H12N4OS — CID 65199145

IUPAC2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1nc(-c2nc(C(C)CN)no2)cs1
InChIInChI=1S/C9H12N4OS/c1-5(3-10)8-12-9(14-13-8)7-4-15-6(2)11-7/h4-5H,3,10H2,1-2H3
InChIKeyCXIRQXLXTSSVJE-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.56
Rot. Bonds3

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

2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 65199145) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID65199145
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1nc(-c2nc(C(C)CN)no2)cs1
InChIInChI=1S/C9H12N4OS/c1-5(3-10)8-12-9(14-13-8)7-4-15-6(2)11-7/h4-5H,3,10H2,1-2H3
InChIKeyCXIRQXLXTSSVJE-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 65199145) is 2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is Cc1nc(-c2nc(C(C)CN)no2)cs1.
What is the InChIKey of 2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is CXIRQXLXTSSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-5(3-10)8-12-9(14-13-8)7-4-15-6(2)11-7/h4-5H,3,10H2,1-2H3.
What are the key properties of 2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 224.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 65199145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).