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

C12H13N3O3S — CID 652594

IUPAC2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C12H13N3O3S/c1-17-7-10(16)13-12-15-14-11(19-12)8-18-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15,16)
InChIKeyLADGCUUNPOHISM-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.70
Rot. Bonds6

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

2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 652594) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID652594
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C12H13N3O3S/c1-17-7-10(16)13-12-15-14-11(19-12)8-18-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15,16)
InChIKeyLADGCUUNPOHISM-UHFFFAOYSA-N
XLogP1.70
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 945206
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
CID 575084
2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
2-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2102404
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 2852882
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
Ethyl ({5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}amino)(oxo)acetate
CID 2163065
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenoxybutanamide
CID 3148068

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 652594) is 2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCC(=O)Nc1nnc(COc2ccccc2)s1.
What is the InChIKey of 2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LADGCUUNPOHISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-17-7-10(16)13-12-15-14-11(19-12)8-18-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15,16).
What are the key properties of 2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 279.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 652594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).