N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide

C7H11N3O2S — CID 65204824

IUPACN-methoxy-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCONC(=O)c1snnc1C(C)C
InChIInChI=1S/C7H11N3O2S/c1-4(2)5-6(13-10-8-5)7(11)9-12-3/h4H,1-3H3,(H,9,11)
InChIKeyKETWGRZFTQZOFX-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.95
Rot. Bonds3

About N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide

N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204824) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204824
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-methoxy-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCONC(=O)c1snnc1C(C)C
InChIInChI=1S/C7H11N3O2S/c1-4(2)5-6(13-10-8-5)7(11)9-12-3/h4H,1-3H3,(H,9,11)
InChIKeyKETWGRZFTQZOFX-UHFFFAOYSA-N
XLogP0.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204824) is N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide is CONC(=O)c1snnc1C(C)C.
What is the InChIKey of N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is KETWGRZFTQZOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4(2)5-6(13-10-8-5)7(11)9-12-3/h4H,1-3H3,(H,9,11).
What are the key properties of N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide?
N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).