2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide

C13H15N3O2S — CID 651712

IUPAC2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C13H15N3O2S/c1-18-9-11(17)14-13-16-15-12(19-13)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17)
InChIKeyQNYHWPSJFIPXKN-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.91
Rot. Bonds6

About 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 651712) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID651712
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C13H15N3O2S/c1-18-9-11(17)14-13-16-15-12(19-13)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17)
InChIKeyQNYHWPSJFIPXKN-UHFFFAOYSA-N
XLogP1.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3979946
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CID 23724219
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CID 665668
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CID 794276
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CID 1402671
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 651712) is 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCC(=O)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QNYHWPSJFIPXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-9-11(17)14-13-16-15-12(19-13)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17).
What are the key properties of 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 651712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).