2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide

C10H9N3O2S — CID 4217877

IUPAC2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1nncs1
InChIInChI=1S/C10H9N3O2S/c14-9(12-10-13-11-7-16-10)6-15-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13,14)
InChIKeyVRDAUBXCUVHEFM-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.56
Rot. Bonds4

About 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide

2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 4217877) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID4217877
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1nncs1
InChIInChI=1S/C10H9N3O2S/c14-9(12-10-13-11-7-16-10)6-15-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13,14)
InChIKeyVRDAUBXCUVHEFM-UHFFFAOYSA-N
XLogP1.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
2-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2102404
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 2852882
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811240
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2948040
2-(4-chlorophenoxy)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 903168
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 2973785
N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2950293
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 3000041
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 810814

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 4217877) is 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccccc1)Nc1nncs1.
What is the InChIKey of 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VRDAUBXCUVHEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-9(12-10-13-11-7-16-10)6-15-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13,14).
What are the key properties of 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 235.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 4217877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).