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

C13H20N4OS — CID 71986720

IUPACN-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(NCc1noc(C(C)C)n1)c1nccs1
InChIInChI=1S/C13H20N4OS/c1-5-13(4,12-14-6-7-19-12)15-8-10-16-11(9(2)3)18-17-10/h6-7,9,15H,5,8H2,1-4H3
InChIKeyWZYKWGKGVCXRPR-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.06
Rot. Bonds6

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

N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 71986720) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID71986720
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(NCc1noc(C(C)C)n1)c1nccs1
InChIInChI=1S/C13H20N4OS/c1-5-13(4,12-14-6-7-19-12)15-8-10-16-11(9(2)3)18-17-10/h6-7,9,15H,5,8H2,1-4H3
InChIKeyWZYKWGKGVCXRPR-UHFFFAOYSA-N
XLogP3.06
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (CID 71986720) is N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is CCC(C)(NCc1noc(C(C)C)n1)c1nccs1.
What is the InChIKey of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is WZYKWGKGVCXRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-5-13(4,12-14-6-7-19-12)15-8-10-16-11(9(2)3)18-17-10/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 280.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 71986720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).