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

C9H12N4OS — CID 63023761

IUPACN-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(-c2cscn2)n1
InChIInChI=1S/C9H12N4OS/c1-6(2)10-3-8-12-9(14-13-8)7-4-15-5-11-7/h4-6,10H,3H2,1-2H3
InChIKeyKQQMOMMCLSOJGB-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.69
Rot. Bonds4

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

N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 63023761) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID63023761
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(-c2cscn2)n1
InChIInChI=1S/C9H12N4OS/c1-6(2)10-3-8-12-9(14-13-8)7-4-15-5-11-7/h4-6,10H,3H2,1-2H3
InChIKeyKQQMOMMCLSOJGB-UHFFFAOYSA-N
XLogP1.69
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 132384125
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 63023761) is N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is CC(C)NCc1noc(-c2cscn2)n1.
What is the InChIKey of N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is KQQMOMMCLSOJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-6(2)10-3-8-12-9(14-13-8)7-4-15-5-11-7/h4-6,10H,3H2,1-2H3.
What are the key properties of N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 224.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63023761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).