2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide

C7H11N3O2S — CID 130605400

IUPAC2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide
SMILESCOC(C)(C)C(=O)Nc1csnn1
InChIInChI=1S/C7H11N3O2S/c1-7(2,12-3)6(11)8-5-4-13-10-9-5/h4H,1-3H3,(H,8,11)
InChIKeySJCNBVCECFSATI-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.90
Rot. Bonds3

About 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide

2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide (PubChem CID 130605400) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide
PubChem CID130605400
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide
SMILESCOC(C)(C)C(=O)Nc1csnn1
InChIInChI=1S/C7H11N3O2S/c1-7(2,12-3)6(11)8-5-4-13-10-9-5/h4H,1-3H3,(H,8,11)
InChIKeySJCNBVCECFSATI-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide (CID 130605400) is 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide is COC(C)(C)C(=O)Nc1csnn1.
What is the InChIKey of 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide?
The InChIKey is SJCNBVCECFSATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-7(2,12-3)6(11)8-5-4-13-10-9-5/h4H,1-3H3,(H,8,11).
What are the key properties of 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide?
2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide has a molecular weight of 201.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide is sourced from PubChem (CID 130605400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).