1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid

C8H9NO2S — CID 96627418

IUPAC1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CCC1
InChIInChI=1S/C8H9NO2S/c10-7(11)8(3-1-4-8)6-2-5-9-12-6/h2,5H,1,3-4H2,(H,10,11)
InChIKeyUIOLYUOTMJOXMH-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.65
Rot. Bonds2

About 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid

1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid (PubChem CID 96627418) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid
PubChem CID96627418
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CCC1
InChIInChI=1S/C8H9NO2S/c10-7(11)8(3-1-4-8)6-2-5-9-12-6/h2,5H,1,3-4H2,(H,10,11)
InChIKeyUIOLYUOTMJOXMH-UHFFFAOYSA-N
XLogP1.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-Thiazol-5-yl)acetic acid
CID 20389339
2-Methyl-2-(1,2-thiazol-5-yl)propanoic acid
CID 82412108
2,2-Difluoro-2-(1,2-thiazol-5-yl)acetic acid
CID 130797468
2-Fluoro-2-(1,2-thiazol-5-yl)acetic acid
CID 130989408
4-Hydroxy-2-(1,2-thiazol-5-yl)butanoic acid
CID 82405484
3-(1,2-Thiazol-5-yl)oxetane-3-carboxylic acid
CID 82406251
2-[1-(1,2-Thiazol-5-yl)cyclopropyl]acetic acid
CID 82407144
3-(1,2-Thiazol-5-yl)butanoic acid
CID 82598396
1-Methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
CID 96603325
4-(1,2-Thiazol-5-yl)oxane-4-carboxylic acid
CID 96612608
4-(1,2-Thiazol-5-yl)piperidine-4-carboxylic acid
CID 96613159
1-(1,2-Thiazol-5-yl)cyclopentane-1-carboxylic acid
CID 96621501

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid (CID 96627418) is 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccns2)CCC1.
What is the InChIKey of 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid?
The InChIKey is UIOLYUOTMJOXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-7(11)8(3-1-4-8)6-2-5-9-12-6/h2,5H,1,3-4H2,(H,10,11).
What are the key properties of 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid?
1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-5-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 96627418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).