4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide

C9H15N3O2S — CID 7576686

IUPAC4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCOC(C)C
InChIInChI=1S/C9H15N3O2S/c1-6(2)14-5-4-10-9(13)8-7(3)11-12-15-8/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyCOVHXOCLZYJKOA-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.00
Rot. Bonds5

About 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide

4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide (PubChem CID 7576686) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide
PubChem CID7576686
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCOC(C)C
InChIInChI=1S/C9H15N3O2S/c1-6(2)14-5-4-10-9(13)8-7(3)11-12-15-8/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyCOVHXOCLZYJKOA-UHFFFAOYSA-N
XLogP1.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide (CID 7576686) is 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCOC(C)C.
What is the InChIKey of 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide?
The InChIKey is COVHXOCLZYJKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)14-5-4-10-9(13)8-7(3)11-12-15-8/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide?
4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propan-2-yloxyethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 7576686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).