N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide

C16H21N3O2S — CID 35865392

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
SMILESCCCCCc1nnc(NC(=O)CCOc2ccccc2)s1
InChIInChI=1S/C16H21N3O2S/c1-2-3-5-10-15-18-19-16(22-15)17-14(20)11-12-21-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3,(H,17,19,20)
InChIKeyRDYICLSLUJJIMQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.68
Rot. Bonds9

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide (PubChem CID 35865392) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
PubChem CID35865392
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
SMILESCCCCCc1nnc(NC(=O)CCOc2ccccc2)s1
InChIInChI=1S/C16H21N3O2S/c1-2-3-5-10-15-18-19-16(22-15)17-14(20)11-12-21-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3,(H,17,19,20)
InChIKeyRDYICLSLUJJIMQ-UHFFFAOYSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320789
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 82176268
4-oxo-4-(4-pentoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 30587851
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17225962
2-(3-bromophenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7924008

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide (CID 35865392) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide is CCCCCc1nnc(NC(=O)CCOc2ccccc2)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide?
The InChIKey is RDYICLSLUJJIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-3-5-10-15-18-19-16(22-15)17-14(20)11-12-21-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3,(H,17,19,20).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide has a molecular weight of 319.43 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 35865392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).