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

C11H15N3O3S — CID 65205737

IUPAC2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCc1nnsc1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H15N3O3S/c1-3-7-8(18-14-13-7)9(15)12-11(2,10(16)17)6-4-5-6/h6H,3-5H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyUHVWAWLHTQJUOR-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.08
Rot. Bonds5

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

2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 65205737) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID65205737
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCc1nnsc1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H15N3O3S/c1-3-7-8(18-14-13-7)9(15)12-11(2,10(16)17)6-4-5-6/h6H,3-5H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyUHVWAWLHTQJUOR-UHFFFAOYSA-N
XLogP1.08
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-chloro-2-methylpropan-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 114294992
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
N-[(1R)-1-cyclopropylethyl]-4-ethylthiadiazole-5-carboxamide
CID 30796558
4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
CID 115878220
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 113384238
2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid
CID 79812599
2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105092243
4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 30768347
N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 47418901
N-(2-aminocyclopentyl)-4-ethylthiadiazole-5-carboxamide
CID 65210234

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid (CID 65205737) is 2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid is CCc1nnsc1C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is UHVWAWLHTQJUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-3-7-8(18-14-13-7)9(15)12-11(2,10(16)17)6-4-5-6/h6H,3-5H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 269.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 65205737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).