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

C8H13N3OS2 — CID 3128534

IUPACN-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCCSc1nsc(NC(=O)CC)n1
InChIInChI=1S/C8H13N3OS2/c1-3-5-13-8-10-7(14-11-8)9-6(12)4-2/h3-5H2,1-2H3,(H,9,10,11,12)
InChIKeyXHBGDQMFERCBGL-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.39
Rot. Bonds5

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

N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 3128534) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID3128534
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC NameN-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCCSc1nsc(NC(=O)CC)n1
InChIInChI=1S/C8H13N3OS2/c1-3-5-13-8-10-7(14-11-8)9-6(12)4-2/h3-5H2,1-2H3,(H,9,10,11,12)
InChIKeyXHBGDQMFERCBGL-UHFFFAOYSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide (CID 3128534) is N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide is CCCSc1nsc(NC(=O)CC)n1.
What is the InChIKey of N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is XHBGDQMFERCBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-3-5-13-8-10-7(14-11-8)9-6(12)4-2/h3-5H2,1-2H3,(H,9,10,11,12).
What are the key properties of N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide?
N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 231.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 3128534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).