N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane

C10H19N3OS2 — CID 143974040

IUPACN-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane
SMILESCC.CCCCSc1nnc(NC(C)=O)s1
InChIInChI=1S/C8H13N3OS2.C2H6/c1-3-4-5-13-8-11-10-7(14-8)9-6(2)12;1-2/h3-5H2,1-2H3,(H,9,10,12);1-2H3
InChIKeyXBRDPHFJWSGDMQ-UHFFFAOYSA-N
MW261.42 g/mol
LogP3.41
Rot. Bonds5

About N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane

N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane (PubChem CID 143974040) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane
PubChem CID143974040
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC NameN-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane
SMILESCC.CCCCSc1nnc(NC(C)=O)s1
InChIInChI=1S/C8H13N3OS2.C2H6/c1-3-4-5-13-8-11-10-7(14-8)9-6(2)12;1-2/h3-5H2,1-2H3,(H,9,10,12);1-2H3
InChIKeyXBRDPHFJWSGDMQ-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane?
The IUPAC name of N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane (CID 143974040) is N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane.
What is the SMILES notation for N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane?
The canonical SMILES for N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane is CC.CCCCSc1nnc(NC(C)=O)s1.
What is the InChIKey of N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane?
The InChIKey is XBRDPHFJWSGDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2.C2H6/c1-3-4-5-13-8-11-10-7(14-8)9-6(2)12;1-2/h3-5H2,1-2H3,(H,9,10,12);1-2H3.
What are the key properties of N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane?
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane has a molecular weight of 261.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;ethane is sourced from PubChem (CID 143974040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).