N-(2-methylpropoxy)thiadiazole-5-carboxamide

C7H11N3O2S — CID 115410126

IUPACN-(2-methylpropoxy)thiadiazole-5-carboxamide
SMILESCC(C)CONC(=O)c1cnns1
InChIInChI=1S/C7H11N3O2S/c1-5(2)4-12-9-7(11)6-3-8-10-13-6/h3,5H,4H2,1-2H3,(H,9,11)
InChIKeySROIFSQOQFPFMW-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.86
Rot. Bonds4

About N-(2-methylpropoxy)thiadiazole-5-carboxamide

N-(2-methylpropoxy)thiadiazole-5-carboxamide (PubChem CID 115410126) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(2-methylpropoxy)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)thiadiazole-5-carboxamide
PubChem CID115410126
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-(2-methylpropoxy)thiadiazole-5-carboxamide
SMILESCC(C)CONC(=O)c1cnns1
InChIInChI=1S/C7H11N3O2S/c1-5(2)4-12-9-7(11)6-3-8-10-13-6/h3,5H,4H2,1-2H3,(H,9,11)
InChIKeySROIFSQOQFPFMW-UHFFFAOYSA-N
XLogP0.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.86
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-(2-methylpropoxy)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-methylpropoxy)thiadiazole-5-carboxamide (CID 115410126) is N-(2-methylpropoxy)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)thiadiazole-5-carboxamide is CC(C)CONC(=O)c1cnns1.
What is the InChIKey of N-(2-methylpropoxy)thiadiazole-5-carboxamide?
The InChIKey is SROIFSQOQFPFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5(2)4-12-9-7(11)6-3-8-10-13-6/h3,5H,4H2,1-2H3,(H,9,11).
What are the key properties of N-(2-methylpropoxy)thiadiazole-5-carboxamide?
N-(2-methylpropoxy)thiadiazole-5-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)thiadiazole-5-carboxamide is sourced from PubChem (CID 115410126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).