3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid

C12H19N3O3S — CID 65206032

IUPAC3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCc1nnsc1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H19N3O3S/c1-5-8-10(19-14-13-8)11(18)15(12(2,3)4)7-6-9(16)17/h5-7H2,1-4H3,(H,16,17)
InChIKeyUIMNVIHNOKXWGK-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.82
Rot. Bonds5

About 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid

3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 65206032) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID65206032
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCc1nnsc1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H19N3O3S/c1-5-8-10(19-14-13-8)11(18)15(12(2,3)4)7-6-9(16)17/h5-7H2,1-4H3,(H,16,17)
InChIKeyUIMNVIHNOKXWGK-UHFFFAOYSA-N
XLogP1.82
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79382432
2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990498
3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60825607
4-ethylthiadiazole-5-carboxamide
CID 45084470
2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205737
2-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474145
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide
CID 65205074
4-ethylthiadiazole-5-carbonyl chloride
CID 18524959
N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-phenylthiadiazole-5-carboxamide
CID 65205471
4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide
CID 65209875
4-[propan-2-yl-(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 65205936
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-one
CID 105106889

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid (CID 65206032) is 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid is CCc1nnsc1C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is UIMNVIHNOKXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-5-8-10(19-14-13-8)11(18)15(12(2,3)4)7-6-9(16)17/h5-7H2,1-4H3,(H,16,17).
What are the key properties of 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 65206032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).