N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide

C9H12N4OS2 — CID 65198663

IUPACN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C9H12N4OS2/c1-4-7(16-13-12-4)9(14)11-6(8(10)15)5-2-3-5/h5-6H,2-3H2,1H3,(H2,10,15)(H,11,14)
InChIKeyBMKHCKGMTKBIAL-UHFFFAOYSA-N
MW256.36 g/mol
LogP0.64
Rot. Bonds4

About N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide

N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 65198663) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID65198663
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C9H12N4OS2/c1-4-7(16-13-12-4)9(14)11-6(8(10)15)5-2-3-5/h5-6H,2-3H2,1H3,(H2,10,15)(H,11,14)
InChIKeyBMKHCKGMTKBIAL-UHFFFAOYSA-N
XLogP0.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
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-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide (CID 65198663) is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C(N)=S)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is BMKHCKGMTKBIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS2/c1-4-7(16-13-12-4)9(14)11-6(8(10)15)5-2-3-5/h5-6H,2-3H2,1H3,(H2,10,15)(H,11,14).
What are the key properties of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide?
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 256.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65198663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).