N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide

C9H14N4OS2 — CID 65205074

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C(C)C(N)=S
InChIInChI=1S/C9H14N4OS2/c1-4-6-7(16-12-11-6)9(14)13(3)5(2)8(10)15/h5H,4H2,1-3H3,(H2,10,15)
InChIKeyPKKABBWTSPLIFK-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.85
Rot. Bonds4

About N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide (PubChem CID 65205074) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide
PubChem CID65205074
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C(C)C(N)=S
InChIInChI=1S/C9H14N4OS2/c1-4-6-7(16-12-11-6)9(14)13(3)5(2)8(10)15/h5H,4H2,1-3H3,(H2,10,15)
InChIKeyPKKABBWTSPLIFK-UHFFFAOYSA-N
XLogP0.85
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide (CID 65205074) is N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)C(C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide?
The InChIKey is PKKABBWTSPLIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS2/c1-4-6-7(16-12-11-6)9(14)13(3)5(2)8(10)15/h5H,4H2,1-3H3,(H2,10,15).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).