3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide

C11H13N3O2S2 — CID 71973962

IUPAC3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCSc1nsc(NC(=O)CCc2ccc(C)o2)n1
InChIInChI=1S/C11H13N3O2S2/c1-7-3-4-8(16-7)5-6-9(15)12-10-13-11(17-2)14-18-10/h3-4H,5-6H2,1-2H3,(H,12,13,14,15)
InChIKeyGFSTYGURRBEMSR-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.73
Rot. Bonds5

About 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide

3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 71973962) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID71973962
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCSc1nsc(NC(=O)CCc2ccc(C)o2)n1
InChIInChI=1S/C11H13N3O2S2/c1-7-3-4-8(16-7)5-6-9(15)12-10-13-11(17-2)14-18-10/h3-4H,5-6H2,1-2H3,(H,12,13,14,15)
InChIKeyGFSTYGURRBEMSR-UHFFFAOYSA-N
XLogP2.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide (CID 71973962) is 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide is CSc1nsc(NC(=O)CCc2ccc(C)o2)n1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is GFSTYGURRBEMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-7-3-4-8(16-7)5-6-9(15)12-10-13-11(17-2)14-18-10/h3-4H,5-6H2,1-2H3,(H,12,13,14,15).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 71973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).