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

C11H16N4OS — CID 133413068

IUPACN-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(N(C)CCc2nccs2)n1
InChIInChI=1S/C11H16N4OS/c1-8(2)10-13-11(16-14-10)15(3)6-4-9-12-5-7-17-9/h5,7-8H,4,6H2,1-3H3
InChIKeyAOYMDSMSVGGPNB-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.33
Rot. Bonds5

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

N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133413068) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID133413068
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(N(C)CCc2nccs2)n1
InChIInChI=1S/C11H16N4OS/c1-8(2)10-13-11(16-14-10)15(3)6-4-9-12-5-7-17-9/h5,7-8H,4,6H2,1-3H3
InChIKeyAOYMDSMSVGGPNB-UHFFFAOYSA-N
XLogP2.33
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 133413068) is N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine is CC(C)c1noc(N(C)CCc2nccs2)n1.
What is the InChIKey of N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is AOYMDSMSVGGPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8(2)10-13-11(16-14-10)15(3)6-4-9-12-5-7-17-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 252.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133413068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).