N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide

C9H14N4OS2 — CID 65204972

IUPACN-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)CC(N)=S
InChIInChI=1S/C9H14N4OS2/c1-3-4-6-8(16-12-11-6)9(14)13(2)5-7(10)15/h3-5H2,1-2H3,(H2,10,15)
InChIKeyXJGQHDZONQGDAY-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.85
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide (PubChem CID 65204972) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
PubChem CID65204972
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)CC(N)=S
InChIInChI=1S/C9H14N4OS2/c1-3-4-6-8(16-12-11-6)9(14)13(2)5-7(10)15/h3-5H2,1-2H3,(H2,10,15)
InChIKeyXJGQHDZONQGDAY-UHFFFAOYSA-N
XLogP0.85
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide (CID 65204972) is N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(C)CC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The InChIKey is XJGQHDZONQGDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS2/c1-3-4-6-8(16-12-11-6)9(14)13(2)5-7(10)15/h3-5H2,1-2H3,(H2,10,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).