N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide

C12H20N4OS2 — CID 65205220

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCCC(C)(NC(=O)c1snnc1C(C)(C)C)C(N)=S
InChIInChI=1S/C12H20N4OS2/c1-6-12(5,10(13)18)14-9(17)7-8(11(2,3)4)15-16-19-7/h6H2,1-5H3,(H2,13,18)(H,14,17)
InChIKeyARRZEEVDRYZBER-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.02
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 65205220) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
PubChem CID65205220
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCCC(C)(NC(=O)c1snnc1C(C)(C)C)C(N)=S
InChIInChI=1S/C12H20N4OS2/c1-6-12(5,10(13)18)14-9(17)7-8(11(2,3)4)15-16-19-7/h6H2,1-5H3,(H2,13,18)(H,14,17)
InChIKeyARRZEEVDRYZBER-UHFFFAOYSA-N
XLogP2.02
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.02
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-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide (CID 65205220) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide is CCC(C)(NC(=O)c1snnc1C(C)(C)C)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is ARRZEEVDRYZBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-6-12(5,10(13)18)14-9(17)7-8(11(2,3)4)15-16-19-7/h6H2,1-5H3,(H2,13,18)(H,14,17).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).