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

C7H11N3OS2 — CID 4254359

IUPACN-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(C)=O)n1
InChIInChI=1S/C7H11N3OS2/c1-3-4-12-7-9-6(13-10-7)8-5(2)11/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyAMZWEIWZJSZMAJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.00
Rot. Bonds4

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

N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 4254359) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID4254359
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC NameN-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(C)=O)n1
InChIInChI=1S/C7H11N3OS2/c1-3-4-12-7-9-6(13-10-7)8-5(2)11/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyAMZWEIWZJSZMAJ-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.00
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)acetamide?
The IUPAC name of N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (CID 4254359) is N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is CCCSc1nsc(NC(C)=O)n1.
What is the InChIKey of N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is AMZWEIWZJSZMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-3-4-12-7-9-6(13-10-7)8-5(2)11/h3-4H2,1-2H3,(H,8,9,10,11).
What are the key properties of N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 217.32 g/mol, XLogP of 2.00, 4 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)acetamide is sourced from PubChem (CID 4254359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).