N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide

C8H12N4OS2 — CID 65216427

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide
SMILESCCN(CCC(N)=S)C(=O)c1csnn1
InChIInChI=1S/C8H12N4OS2/c1-2-12(4-3-7(9)14)8(13)6-5-15-11-10-6/h5H,2-4H2,1H3,(H2,9,14)
InChIKeyBETJJTXUMAPPGP-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.68
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide (PubChem CID 65216427) has the molecular formula C8H12N4OS2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide
PubChem CID65216427
Molecular FormulaC8H12N4OS2
Molecular Weight244.34 g/mol
Exact Mass244.05
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide
SMILESCCN(CCC(N)=S)C(=O)c1csnn1
InChIInChI=1S/C8H12N4OS2/c1-2-12(4-3-7(9)14)8(13)6-5-15-11-10-6/h5H,2-4H2,1H3,(H2,9,14)
InChIKeyBETJJTXUMAPPGP-UHFFFAOYSA-N
XLogP0.68
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylthiadiazole-4-carboxamide
CID 60757863
N-ethyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 61067354
N-(3-amino-3-sulfanylidenepropyl)-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 65216045
N-(2-amino-2-sulfanylideneethyl)-N-methylthiadiazole-4-carboxamide
CID 65216482
N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 65216327
N-(2-bromoethyl)-N-butylthiadiazole-4-carboxamide
CID 80662596
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-ethylthiophene-3-carboxamide
CID 107961729
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide
CID 77060547
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
CID 114026066
methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate
CID 78959965
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-N-ethylfuran-3-carboxamide
CID 106684907
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-5-fluoro-2-hydroxybenzamide
CID 113281569

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide (CID 65216427) is N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide is CCN(CCC(N)=S)C(=O)c1csnn1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide?
The InChIKey is BETJJTXUMAPPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS2/c1-2-12(4-3-7(9)14)8(13)6-5-15-11-10-6/h5H,2-4H2,1H3,(H2,9,14).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 0.68, 5 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-ethylthiadiazole-4-carboxamide is sourced from PubChem (CID 65216427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).