N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide

C8H12N4OS2 — CID 65215567

IUPACN-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)N(CC(N)=S)C(=O)c1cnns1
InChIInChI=1S/C8H12N4OS2/c1-5(2)12(4-7(9)14)8(13)6-3-10-11-15-6/h3,5H,4H2,1-2H3,(H2,9,14)
InChIKeyCVRRJLLJQMQVBY-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.67
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65215567) has the molecular formula C8H12N4OS2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65215567
Molecular FormulaC8H12N4OS2
Molecular Weight244.34 g/mol
Exact Mass244.05
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)N(CC(N)=S)C(=O)c1cnns1
InChIInChI=1S/C8H12N4OS2/c1-5(2)12(4-7(9)14)8(13)6-3-10-11-15-6/h3,5H,4H2,1-2H3,(H2,9,14)
InChIKeyCVRRJLLJQMQVBY-UHFFFAOYSA-N
XLogP0.67
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.67
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-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide (CID 65215567) is N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide is CC(C)N(CC(N)=S)C(=O)c1cnns1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is CVRRJLLJQMQVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS2/c1-5(2)12(4-7(9)14)8(13)6-3-10-11-15-6/h3,5H,4H2,1-2H3,(H2,9,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 0.67, 4 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-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65215567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).