N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide

C8H11N5O2S — CID 77060495

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide
SMILESNC(=NO)C(NC(=O)c1cnns1)C1CC1
InChIInChI=1S/C8H11N5O2S/c9-7(12-15)6(4-1-2-4)11-8(14)5-3-10-13-16-5/h3-4,6,15H,1-2H2,(H2,9,12)(H,11,14)
InChIKeyGUEGOFSLNHFJCN-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.21
Rot. Bonds4

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide (PubChem CID 77060495) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide
PubChem CID77060495
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide
SMILESNC(=NO)C(NC(=O)c1cnns1)C1CC1
InChIInChI=1S/C8H11N5O2S/c9-7(12-15)6(4-1-2-4)11-8(14)5-3-10-13-16-5/h3-4,6,15H,1-2H2,(H2,9,12)(H,11,14)
InChIKeyGUEGOFSLNHFJCN-UHFFFAOYSA-N
XLogP-0.21
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide (CID 77060495) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide is NC(=NO)C(NC(=O)c1cnns1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide?
The InChIKey is GUEGOFSLNHFJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c9-7(12-15)6(4-1-2-4)11-8(14)5-3-10-13-16-5/h3-4,6,15H,1-2H2,(H2,9,12)(H,11,14).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide has a molecular weight of 241.28 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 77060495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).