4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid

C16H21N3O3S — CID 122064209

IUPAC4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid
SMILESCOCCc1nsc(NC(CCC(=O)O)Cc2ccccc2)n1
InChIInChI=1S/C16H21N3O3S/c1-22-10-9-14-18-16(23-19-14)17-13(7-8-15(20)21)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyWNDCZAZTZSPGSB-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.62
Rot. Bonds10

About 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid

4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid (PubChem CID 122064209) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid
PubChem CID122064209
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid
SMILESCOCCc1nsc(NC(CCC(=O)O)Cc2ccccc2)n1
InChIInChI=1S/C16H21N3O3S/c1-22-10-9-14-18-16(23-19-14)17-13(7-8-15(20)21)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyWNDCZAZTZSPGSB-UHFFFAOYSA-N
XLogP2.62
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine
CID 65277594
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-5-phenylpentanoic acid
CID 122064162
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
CID 122064202
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546722
4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547332
3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133369815
3-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335113
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
3-methoxy-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 81078153
4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid
CID 122064193

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid (CID 122064209) is 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid is COCCc1nsc(NC(CCC(=O)O)Cc2ccccc2)n1.
What is the InChIKey of 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid?
The InChIKey is WNDCZAZTZSPGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-22-10-9-14-18-16(23-19-14)17-13(7-8-15(20)21)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid?
4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid has a molecular weight of 335.43 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122064209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).