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

C11H15N5OS2 — CID 71973961

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCSc1nsc(NC(=O)CCc2cn(C)nc2C)n1
InChIInChI=1S/C11H15N5OS2/c1-7-8(6-16(2)14-7)4-5-9(17)12-10-13-11(18-3)15-19-10/h6H,4-5H2,1-3H3,(H,12,13,15,17)
InChIKeyAOOYQRPFDZTWBR-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.87
Rot. Bonds5

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

3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 71973961) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID71973961
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCSc1nsc(NC(=O)CCc2cn(C)nc2C)n1
InChIInChI=1S/C11H15N5OS2/c1-7-8(6-16(2)14-7)4-5-9(17)12-10-13-11(18-3)15-19-10/h6H,4-5H2,1-3H3,(H,12,13,15,17)
InChIKeyAOOYQRPFDZTWBR-UHFFFAOYSA-N
XLogP1.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide (CID 71973961) is 3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide is CSc1nsc(NC(=O)CCc2cn(C)nc2C)n1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is AOOYQRPFDZTWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-7-8(6-16(2)14-7)4-5-9(17)12-10-13-11(18-3)15-19-10/h6H,4-5H2,1-3H3,(H,12,13,15,17).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 297.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 71973961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).