2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C14H15N3O3S — CID 3477268

IUPAC2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)COc2ccccc2C=O)s1
InChIInChI=1S/C14H15N3O3S/c1-2-5-13-16-17-14(21-13)15-12(19)9-20-11-7-4-3-6-10(11)8-18/h3-4,6-8H,2,5,9H2,1H3,(H,15,17,19)
InChIKeyALXPPUQIPRMVTQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.32
Rot. Bonds7

About 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3477268) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3477268
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)COc2ccccc2C=O)s1
InChIInChI=1S/C14H15N3O3S/c1-2-5-13-16-17-14(21-13)15-12(19)9-20-11-7-4-3-6-10(11)8-18/h3-4,6-8H,2,5,9H2,1H3,(H,15,17,19)
InChIKeyALXPPUQIPRMVTQ-UHFFFAOYSA-N
XLogP2.32
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
2-(2-propan-2-ylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178842
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109892
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
CID 7751334
2-(4-chloro-2-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109772
2-(4-bromo-2-ethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202963
2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202970
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 18093750

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3477268) is 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)COc2ccccc2C=O)s1.
What is the InChIKey of 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ALXPPUQIPRMVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-5-13-16-17-14(21-13)15-12(19)9-20-11-7-4-3-6-10(11)8-18/h3-4,6-8H,2,5,9H2,1H3,(H,15,17,19).
What are the key properties of 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3477268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).