N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide

C11H19N5OS2 — CID 122562329

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
SMILESNc1nnc(CNC(=O)CSCCN2CCCC2)s1
InChIInChI=1S/C11H19N5OS2/c12-11-15-14-10(19-11)7-13-9(17)8-18-6-5-16-3-1-2-4-16/h1-8H2,(H2,12,15)(H,13,17)
InChIKeyDEIQROGEGJVCPJ-UHFFFAOYSA-N
MW301.44 g/mol
LogP0.57
Rot. Bonds7

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide (PubChem CID 122562329) has the molecular formula C11H19N5OS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
PubChem CID122562329
Molecular FormulaC11H19N5OS2
Molecular Weight301.44 g/mol
Exact Mass301.10
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
SMILESNc1nnc(CNC(=O)CSCCN2CCCC2)s1
InChIInChI=1S/C11H19N5OS2/c12-11-15-14-10(19-11)7-13-9(17)8-18-6-5-16-3-1-2-4-16/h1-8H2,(H2,12,15)(H,13,17)
InChIKeyDEIQROGEGJVCPJ-UHFFFAOYSA-N
XLogP0.57
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide (CID 122562329) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide is Nc1nnc(CNC(=O)CSCCN2CCCC2)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
The InChIKey is DEIQROGEGJVCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS2/c12-11-15-14-10(19-11)7-13-9(17)8-18-6-5-16-3-1-2-4-16/h1-8H2,(H2,12,15)(H,13,17).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide has a molecular weight of 301.44 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide is sourced from PubChem (CID 122562329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).