4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide

C13H15N3O3S — CID 652201

IUPAC4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2nncs2)cc1
InChIInChI=1S/C13H15N3O3S/c1-18-10-4-6-11(7-5-10)19-8-2-3-12(17)15-13-16-14-9-20-13/h4-7,9H,2-3,8H2,1H3,(H,15,16,17)
InChIKeyLGZJLOSAXWVLDG-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.34
Rot. Bonds7

About 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide

4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 652201) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID652201
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2nncs2)cc1
InChIInChI=1S/C13H15N3O3S/c1-18-10-4-6-11(7-5-10)19-8-2-3-12(17)15-13-16-14-9-20-13/h4-7,9H,2-3,8H2,1H3,(H,15,16,17)
InChIKeyLGZJLOSAXWVLDG-UHFFFAOYSA-N
XLogP2.34
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1637640
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(4-methylphenoxy)butanamide
CID 4799259
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenoxybutanamide
CID 3148068
4-(4-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 646217
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 3000041
N-[1,3,4]Thiadiazol-2-yl-4-p-tolyloxy-butyramide
CID 649235
4-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 652428
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 2180822
4-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3392495
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 16477428
N-[5-[2-(4-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 71946086
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 652201) is 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide is COc1ccc(OCCCC(=O)Nc2nncs2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is LGZJLOSAXWVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-18-10-4-6-11(7-5-10)19-8-2-3-12(17)15-13-16-14-9-20-13/h4-7,9H,2-3,8H2,1H3,(H,15,16,17).
What are the key properties of 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide?
4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 293.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 652201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).