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

C10H14N4OS — CID 104879994

IUPAC2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1ncc(-c2nc(C(N)C(C)C)no2)s1
InChIInChI=1S/C10H14N4OS/c1-5(2)8(11)9-13-10(15-14-9)7-4-12-6(3)16-7/h4-5,8H,11H2,1-3H3
InChIKeyABLOECVGKDKOHT-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.16
Rot. Bonds3

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

2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 104879994) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID104879994
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1ncc(-c2nc(C(N)C(C)C)no2)s1
InChIInChI=1S/C10H14N4OS/c1-5(2)8(11)9-13-10(15-14-9)7-4-12-6(3)16-7/h4-5,8H,11H2,1-3H3
InChIKeyABLOECVGKDKOHT-UHFFFAOYSA-N
XLogP2.16
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
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5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136966696
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 104879994) is 2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is Cc1ncc(-c2nc(C(N)C(C)C)no2)s1.
What is the InChIKey of 2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is ABLOECVGKDKOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-5(2)8(11)9-13-10(15-14-9)7-4-12-6(3)16-7/h4-5,8H,11H2,1-3H3.
What are the key properties of 2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 238.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 104879994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).