2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide

C19H19N3O3S — CID 17320789

IUPAC2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1)Nc1nnc(CCCOc2ccccc2)s1
InChIInChI=1S/C19H19N3O3S/c23-17(14-25-16-10-5-2-6-11-16)20-19-22-21-18(26-19)12-7-13-24-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,22,23)
InChIKeyFWUXMUARGIGXLZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.57
Rot. Bonds9

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

2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 17320789) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID17320789
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1)Nc1nnc(CCCOc2ccccc2)s1
InChIInChI=1S/C19H19N3O3S/c23-17(14-25-16-10-5-2-6-11-16)20-19-22-21-18(26-19)12-7-13-24-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,22,23)
InChIKeyFWUXMUARGIGXLZ-UHFFFAOYSA-N
XLogP3.57
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.57
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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392
4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319563
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 82176268
2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109892
N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946201
3-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319770
2-(3-bromophenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7924008
3,4,5-trimethoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17320419

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 17320789) is 2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(COc1ccccc1)Nc1nnc(CCCOc2ccccc2)s1.
What is the InChIKey of 2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FWUXMUARGIGXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-17(14-25-16-10-5-2-6-11-16)20-19-22-21-18(26-19)12-7-13-24-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,22,23).
What are the key properties of 2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 17320789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).