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

C10H14N4OS — CID 66374418

IUPAC1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)c1noc(-c2csc(C(C)N)n2)n1
InChIInChI=1S/C10H14N4OS/c1-5(2)8-13-9(15-14-8)7-4-16-10(12-7)6(3)11/h4-6H,11H2,1-3H3
InChIKeyWJADYWHXJDKREV-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.34
Rot. Bonds3

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

1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66374418) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66374418
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)c1noc(-c2csc(C(C)N)n2)n1
InChIInChI=1S/C10H14N4OS/c1-5(2)8-13-9(15-14-8)7-4-16-10(12-7)6(3)11/h4-6H,11H2,1-3H3
InChIKeyWJADYWHXJDKREV-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine (CID 66374418) is 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine is CC(C)c1noc(-c2csc(C(C)N)n2)n1.
What is the InChIKey of 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is WJADYWHXJDKREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-5(2)8-13-9(15-14-8)7-4-16-10(12-7)6(3)11/h4-6H,11H2,1-3H3.
What are the key properties of 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 238.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66374418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).