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

C8H13N3O2S — CID 65204826

IUPACN-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCONC(=O)c1snnc1C(C)C
InChIInChI=1S/C8H13N3O2S/c1-4-13-10-8(12)7-6(5(2)3)9-11-14-7/h5H,4H2,1-3H3,(H,10,12)
InChIKeyCIPNFOGPBROZSJ-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.34
Rot. Bonds4

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

N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204826) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204826
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCONC(=O)c1snnc1C(C)C
InChIInChI=1S/C8H13N3O2S/c1-4-13-10-8(12)7-6(5(2)3)9-11-14-7/h5H,4H2,1-3H3,(H,10,12)
InChIKeyCIPNFOGPBROZSJ-UHFFFAOYSA-N
XLogP1.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.34
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-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204826) is N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide is CCONC(=O)c1snnc1C(C)C.
What is the InChIKey of N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is CIPNFOGPBROZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-4-13-10-8(12)7-6(5(2)3)9-11-14-7/h5H,4H2,1-3H3,(H,10,12).
What are the key properties of N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide?
N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).