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

C13H18N4O2S — CID 138036291

IUPAC3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)c1nnc(CCC(=O)NC(C)c2cscn2)o1
InChIInChI=1S/C13H18N4O2S/c1-8(2)13-17-16-12(19-13)5-4-11(18)15-9(3)10-6-20-7-14-10/h6-9H,4-5H2,1-3H3,(H,15,18)
InChIKeyQEYONMOQNRNLTM-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.46
Rot. Bonds6

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

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 138036291) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID138036291
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)c1nnc(CCC(=O)NC(C)c2cscn2)o1
InChIInChI=1S/C13H18N4O2S/c1-8(2)13-17-16-12(19-13)5-4-11(18)15-9(3)10-6-20-7-14-10/h6-9H,4-5H2,1-3H3,(H,15,18)
InChIKeyQEYONMOQNRNLTM-UHFFFAOYSA-N
XLogP2.46
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide (CID 138036291) is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide is CC(C)c1nnc(CCC(=O)NC(C)c2cscn2)o1.
What is the InChIKey of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is QEYONMOQNRNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8(2)13-17-16-12(19-13)5-4-11(18)15-9(3)10-6-20-7-14-10/h6-9H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide?
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 294.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 138036291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).