2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid

C13H13NO2S2 — CID 64982442

IUPAC2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(C3CCC3)n2)s1
InChIInChI=1S/C13H13NO2S2/c15-12(16)6-9-4-5-11(18-9)10-7-17-13(14-10)8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H,15,16)
InChIKeyBPQDFVTZHZGYAO-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.77
Rot. Bonds4

About 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid

2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid (PubChem CID 64982442) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
PubChem CID64982442
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC Name2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(C3CCC3)n2)s1
InChIInChI=1S/C13H13NO2S2/c15-12(16)6-9-4-5-11(18-9)10-7-17-13(14-10)8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H,15,16)
InChIKeyBPQDFVTZHZGYAO-UHFFFAOYSA-N
XLogP3.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid (CID 64982442) is 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(-c2csc(C3CCC3)n2)s1.
What is the InChIKey of 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
The InChIKey is BPQDFVTZHZGYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c15-12(16)6-9-4-5-11(18-9)10-7-17-13(14-10)8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H,15,16).
What are the key properties of 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid has a molecular weight of 279.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 64982442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).