N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C9H15N3OS2 — CID 47144922

IUPACN,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCCN(CC)C(=O)C(C)Sc1nncs1
InChIInChI=1S/C9H15N3OS2/c1-4-12(5-2)8(13)7(3)15-9-11-10-6-14-9/h6-7H,4-5H2,1-3H3
InChIKeyGEJBRPXUMOPAGU-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.89
Rot. Bonds5

About N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 47144922) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID47144922
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC NameN,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCCN(CC)C(=O)C(C)Sc1nncs1
InChIInChI=1S/C9H15N3OS2/c1-4-12(5-2)8(13)7(3)15-9-11-10-6-14-9/h6-7H,4-5H2,1-3H3
InChIKeyGEJBRPXUMOPAGU-UHFFFAOYSA-N
XLogP1.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 47144922) is N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CCN(CC)C(=O)C(C)Sc1nncs1.
What is the InChIKey of N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is GEJBRPXUMOPAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-4-12(5-2)8(13)7(3)15-9-11-10-6-14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 245.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 47144922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).