N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide

C11H18N4OS2 — CID 65204125

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCN(CCC(N)=S)C(=O)c1snnc1C(C)C
InChIInChI=1S/C11H18N4OS2/c1-4-15(6-5-8(12)17)11(16)10-9(7(2)3)13-14-18-10/h7H,4-6H2,1-3H3,(H2,12,17)
InChIKeyLIEZEMVVFIPVIC-UHFFFAOYSA-N
MW286.43 g/mol
LogP1.80
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204125) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204125
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCN(CCC(N)=S)C(=O)c1snnc1C(C)C
InChIInChI=1S/C11H18N4OS2/c1-4-15(6-5-8(12)17)11(16)10-9(7(2)3)13-14-18-10/h7H,4-6H2,1-3H3,(H2,12,17)
InChIKeyLIEZEMVVFIPVIC-UHFFFAOYSA-N
XLogP1.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 51.80
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-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204125) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide is CCN(CCC(N)=S)C(=O)c1snnc1C(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is LIEZEMVVFIPVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-4-15(6-5-8(12)17)11(16)10-9(7(2)3)13-14-18-10/h7H,4-6H2,1-3H3,(H2,12,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 286.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).