2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide

C15H20N4O3S — CID 39177017

IUPAC2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccccc1OCCCc1nnc(NC(=O)CN)s1
InChIInChI=1S/C15H20N4O3S/c1-2-21-11-6-3-4-7-12(11)22-9-5-8-14-18-19-15(23-14)17-13(20)10-16/h3-4,6-7H,2,5,8-10,16H2,1H3,(H,17,19,20)
InChIKeyWNZYUFXZTZBGHG-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.85
Rot. Bonds9

About 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide

2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 39177017) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID39177017
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccccc1OCCCc1nnc(NC(=O)CN)s1
InChIInChI=1S/C15H20N4O3S/c1-2-21-11-6-3-4-7-12(11)22-9-5-8-14-18-19-15(23-14)17-13(20)10-16/h3-4,6-7H,2,5,8-10,16H2,1H3,(H,17,19,20)
InChIKeyWNZYUFXZTZBGHG-UHFFFAOYSA-N
XLogP1.85
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320789
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
ethyl N-[5-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 74982527
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
4-amino-N-[5-[3-(2,4-dimethylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 39182914
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 82176268
4-butoxy-N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-ethoxybenzamide
CID 108766682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 39177017) is 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide is CCOc1ccccc1OCCCc1nnc(NC(=O)CN)s1.
What is the InChIKey of 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WNZYUFXZTZBGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-2-21-11-6-3-4-7-12(11)22-9-5-8-14-18-19-15(23-14)17-13(20)10-16/h3-4,6-7H,2,5,8-10,16H2,1H3,(H,17,19,20).
What are the key properties of 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 39177017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).