N-(3-aminocyclobutyl)thiadiazole-5-carboxamide

C7H10N4OS — CID 43594872

IUPACN-(3-aminocyclobutyl)thiadiazole-5-carboxamide
SMILESNC1CC(NC(=O)c2cnns2)C1
InChIInChI=1S/C7H10N4OS/c8-4-1-5(2-4)10-7(12)6-3-9-11-13-6/h3-5H,1-2,8H2,(H,10,12)
InChIKeyAYRYAVWLFHPECE-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.24
Rot. Bonds2

About N-(3-aminocyclobutyl)thiadiazole-5-carboxamide

N-(3-aminocyclobutyl)thiadiazole-5-carboxamide (PubChem CID 43594872) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)thiadiazole-5-carboxamide
PubChem CID43594872
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC NameN-(3-aminocyclobutyl)thiadiazole-5-carboxamide
SMILESNC1CC(NC(=O)c2cnns2)C1
InChIInChI=1S/C7H10N4OS/c8-4-1-5(2-4)10-7(12)6-3-9-11-13-6/h3-5H,1-2,8H2,(H,10,12)
InChIKeyAYRYAVWLFHPECE-UHFFFAOYSA-N
XLogP-0.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)thiadiazole-5-carboxamide (CID 43594872) is N-(3-aminocyclobutyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)thiadiazole-5-carboxamide is NC1CC(NC(=O)c2cnns2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)thiadiazole-5-carboxamide?
The InChIKey is AYRYAVWLFHPECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-4-1-5(2-4)10-7(12)6-3-9-11-13-6/h3-5H,1-2,8H2,(H,10,12).
What are the key properties of N-(3-aminocyclobutyl)thiadiazole-5-carboxamide?
N-(3-aminocyclobutyl)thiadiazole-5-carboxamide has a molecular weight of 198.25 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 43594872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).