2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid

C11H17N3O3S — CID 62034424

IUPAC2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1snnc1CC)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-4-6-11(3,10(16)17)12-9(15)8-7(5-2)13-14-18-8/h4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeySXAGGZXJNALMPH-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.47
Rot. Bonds6

About 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid

2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 62034424) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
PubChem CID62034424
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1snnc1CC)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-4-6-11(3,10(16)17)12-9(15)8-7(5-2)13-14-18-8/h4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeySXAGGZXJNALMPH-UHFFFAOYSA-N
XLogP1.47
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate
CID 60693506
2-[(4-Tert-butylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791678
3,3,3-Trifluoro-2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
CID 79795303
3,3,3-Trifluoro-2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 79795472
2-[(4-Ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796324
(2R)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 28777208
(2S)-4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 28777211
1-[(4-Methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779319
1-[(4-Methylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162949
2-Cyclopropyl-2-[(4-methyl-1,2,3-thiadiazol-5-yl)formamido]propanoic acid
CID 43162998
4-Methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 43209721
1-[(4-Methylthiadiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341599

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid (CID 62034424) is 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1snnc1CC)C(=O)O.
What is the InChIKey of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is SXAGGZXJNALMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-6-11(3,10(16)17)12-9(15)8-7(5-2)13-14-18-8/h4-6H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid?
2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 62034424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).