1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid

C6H7N3O2S — CID 116985776

IUPAC1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2nnns2)CCC1
InChIInChI=1S/C6H7N3O2S/c10-5(11)6(2-1-3-6)4-7-8-9-12-4/h1-3H2,(H,10,11)
InChIKeyROQSWYKCZHLQIM-UHFFFAOYSA-N
MW185.21 g/mol
LogP0.44
Rot. Bonds2

About 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid

1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid (PubChem CID 116985776) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid
PubChem CID116985776
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2nnns2)CCC1
InChIInChI=1S/C6H7N3O2S/c10-5(11)6(2-1-3-6)4-7-8-9-12-4/h1-3H2,(H,10,11)
InChIKeyROQSWYKCZHLQIM-UHFFFAOYSA-N
XLogP0.44
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-oxobicyclo[3.3.1]nonane-1,5-dicarboxylic acid
CID 91401629
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylic acid
CID 116887002
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutane-1-carboxylic acid
CID 116967030
1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]cyclobutane-1-carboxylic acid
CID 116967040
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(1,2,3-benzothiadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 117373674
2-(1-carboxycyclopropyl)-1,3-thiazole-4-carboxylic acid
CID 82673904
1-carbamothioyl-N-(thiatriazol-5-yl)cyclobutane-1-carboxamide
CID 114912668
1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid
CID 83847292
1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 83703237
1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclobutane-1-carboxylic acid
CID 96602541
1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid
CID 84774040

Frequently Asked Questions

What is the IUPAC name of 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid (CID 116985776) is 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2nnns2)CCC1.
What is the InChIKey of 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid?
The InChIKey is ROQSWYKCZHLQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c10-5(11)6(2-1-3-6)4-7-8-9-12-4/h1-3H2,(H,10,11).
What are the key properties of 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid?
1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid has a molecular weight of 185.21 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiatriazol-5-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116985776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).