N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid

C16H21N3O5S — CID 163338081

IUPACN-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid
SMILESCCc1ccc(OC(C)c2nnc(NC(=O)COC)s2)cc1.O=CO
InChIInChI=1S/C15H19N3O3S.CH2O2/c1-4-11-5-7-12(8-6-11)21-10(2)14-17-18-15(22-14)16-13(19)9-20-3;2-1-3/h5-8,10H,4,9H2,1-3H3,(H,16,18,19);1H,(H,2,3)
InChIKeyCWJWJANLEHMLHF-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.53
Rot. Bonds7

About N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid

N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid (PubChem CID 163338081) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid.

Molecular Properties

Compound NameN-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid
PubChem CID163338081
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid
SMILESCCc1ccc(OC(C)c2nnc(NC(=O)COC)s2)cc1.O=CO
InChIInChI=1S/C15H19N3O3S.CH2O2/c1-4-11-5-7-12(8-6-11)21-10(2)14-17-18-15(22-14)16-13(19)9-20-3;2-1-3/h5-8,10H,4,9H2,1-3H3,(H,16,18,19);1H,(H,2,3)
InChIKeyCWJWJANLEHMLHF-UHFFFAOYSA-N
XLogP2.53
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide
CID 156584405
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 82176337
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-propoxyphenoxy)acetamide
CID 32624003
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
2-[4-(4-methylphenyl)phenoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19170983
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
2-(4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196426
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide
CID 82176847
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 16543581

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid?
The IUPAC name of N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid (CID 163338081) is N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid.
What is the SMILES notation for N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid?
The canonical SMILES for N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid is CCc1ccc(OC(C)c2nnc(NC(=O)COC)s2)cc1.O=CO.
What is the InChIKey of N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid?
The InChIKey is CWJWJANLEHMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S.CH2O2/c1-4-11-5-7-12(8-6-11)21-10(2)14-17-18-15(22-14)16-13(19)9-20-3;2-1-3/h5-8,10H,4,9H2,1-3H3,(H,16,18,19);1H,(H,2,3).
What are the key properties of N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid?
N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid has a molecular weight of 367.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid is sourced from PubChem (CID 163338081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).