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

C13H13N3O2S — CID 1407102

IUPAC2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1nncs1
InChIInChI=1S/C13H13N3O2S/c1-2-5-10-6-3-4-7-11(10)18-8-12(17)15-13-16-14-9-19-13/h2-4,6-7,9H,1,5,8H2,(H,15,16,17)
InChIKeyNQWYCIQLWBSEQY-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.28
Rot. Bonds6

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

2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1407102) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1407102
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1nncs1
InChIInChI=1S/C13H13N3O2S/c1-2-5-10-6-3-4-7-11(10)18-8-12(17)15-13-16-14-9-19-13/h2-4,6-7,9H,1,5,8H2,(H,15,16,17)
InChIKeyNQWYCIQLWBSEQY-UHFFFAOYSA-N
XLogP2.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407175
2-(2-cyanophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 18292317
2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19178770
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide
CID 1407098
N-(4-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407019
N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407053
N-(3-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407018
2-(2-bromo-4-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369309
N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707159
N-(2-methoxyethyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 2072678
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 1407102) is 2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is C=CCc1ccccc1OCC(=O)Nc1nncs1.
What is the InChIKey of 2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NQWYCIQLWBSEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-2-5-10-6-3-4-7-11(10)18-8-12(17)15-13-16-14-9-19-13/h2-4,6-7,9H,1,5,8H2,(H,15,16,17).
What are the key properties of 2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 275.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1407102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).