N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide

C7H11N3O2S — CID 84600835

IUPACN-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCCC(=O)Nc1nc(COC)ns1
InChIInChI=1S/C7H11N3O2S/c1-3-6(11)9-7-8-5(4-12-2)10-13-7/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyYSRRGPSLAMLGFP-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.03
Rot. Bonds4

About N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide

N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide (PubChem CID 84600835) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide
PubChem CID84600835
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCCC(=O)Nc1nc(COC)ns1
InChIInChI=1S/C7H11N3O2S/c1-3-6(11)9-7-8-5(4-12-2)10-13-7/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyYSRRGPSLAMLGFP-UHFFFAOYSA-N
XLogP1.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide?
The IUPAC name of N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide (CID 84600835) is N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide.
What is the SMILES notation for N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide?
The canonical SMILES for N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide is CCC(=O)Nc1nc(COC)ns1.
What is the InChIKey of N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide?
The InChIKey is YSRRGPSLAMLGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-6(11)9-7-8-5(4-12-2)10-13-7/h3-4H2,1-2H3,(H,8,9,10,11).
What are the key properties of N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide?
N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide has a molecular weight of 201.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide is sourced from PubChem (CID 84600835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).