1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid

C10H13N3O3S — CID 81158582

IUPAC1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCCc1nnsc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H13N3O3S/c1-2-6-7(17-13-12-6)8(14)11-10(9(15)16)4-3-5-10/h2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyGHTFKEFRDYTWDY-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.84
Rot. Bonds4

About 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81158582) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81158582
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCCc1nnsc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H13N3O3S/c1-2-6-7(17-13-12-6)8(14)11-10(9(15)16)4-3-5-10/h2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyGHTFKEFRDYTWDY-UHFFFAOYSA-N
XLogP0.84
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81158582) is 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid is CCc1nnsc1C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is GHTFKEFRDYTWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-6-7(17-13-12-6)8(14)11-10(9(15)16)4-3-5-10/h2-5H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).