1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid

C12H11NO2S2 — CID 116891023

IUPAC1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2csc(-c3cccs3)n2)CCC1
InChIInChI=1S/C12H11NO2S2/c14-11(15)12(4-2-5-12)9-7-17-10(13-9)8-3-1-6-16-8/h1,3,6-7H,2,4-5H2,(H,14,15)
InChIKeyVRSXCLOMQWLFJV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.38
Rot. Bonds3

About 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid

1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 116891023) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
PubChem CID116891023
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2csc(-c3cccs3)n2)CCC1
InChIInChI=1S/C12H11NO2S2/c14-11(15)12(4-2-5-12)9-7-17-10(13-9)8-3-1-6-16-8/h1,3,6-7H,2,4-5H2,(H,14,15)
InChIKeyVRSXCLOMQWLFJV-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid (CID 116891023) is 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2csc(-c3cccs3)n2)CCC1.
What is the InChIKey of 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is VRSXCLOMQWLFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c14-11(15)12(4-2-5-12)9-7-17-10(13-9)8-3-1-6-16-8/h1,3,6-7H,2,4-5H2,(H,14,15).
What are the key properties of 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116891023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).