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

C11H19N3O3S — CID 122062555

IUPAC2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid
SMILESCOCCc1nsc(NC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C11H19N3O3S/c1-7(2)6-8(10(15)16)12-11-13-9(14-18-11)4-5-17-3/h7-8H,4-6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyUZSPPTOLGSGBSI-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.64
Rot. Bonds8

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

2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid (PubChem CID 122062555) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid
PubChem CID122062555
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid
SMILESCOCCc1nsc(NC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C11H19N3O3S/c1-7(2)6-8(10(15)16)12-11-13-9(14-18-11)4-5-17-3/h7-8H,4-6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyUZSPPTOLGSGBSI-UHFFFAOYSA-N
XLogP1.64
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65270819
3-methoxy-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 81078153
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133369815
4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid
CID 122064209
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62962981
ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65276553
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568415
2-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 106108351
3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133335089
(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049266
(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049216

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid (CID 122062555) is 2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid is COCCc1nsc(NC(CC(C)C)C(=O)O)n1.
What is the InChIKey of 2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid?
The InChIKey is UZSPPTOLGSGBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7(2)6-8(10(15)16)12-11-13-9(14-18-11)4-5-17-3/h7-8H,4-6H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid?
2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid has a molecular weight of 273.36 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 122062555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).