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

C14H17NO2S2 — CID 55189809

IUPAC2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
SMILESCCC(CC)c1nc(-c2ccc(CC(=O)O)s2)cs1
InChIInChI=1S/C14H17NO2S2/c1-3-9(4-2)14-15-11(8-18-14)12-6-5-10(19-12)7-13(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyNUSLXUQLFUQTRV-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.40
Rot. Bonds6

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

2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid (PubChem CID 55189809) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
PubChem CID55189809
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
SMILESCCC(CC)c1nc(-c2ccc(CC(=O)O)s2)cs1
InChIInChI=1S/C14H17NO2S2/c1-3-9(4-2)14-15-11(8-18-14)12-6-5-10(19-12)7-13(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyNUSLXUQLFUQTRV-UHFFFAOYSA-N
XLogP4.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid (CID 55189809) is 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid is CCC(CC)c1nc(-c2ccc(CC(=O)O)s2)cs1.
What is the InChIKey of 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
The InChIKey is NUSLXUQLFUQTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-3-9(4-2)14-15-11(8-18-14)12-6-5-10(19-12)7-13(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid has a molecular weight of 295.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-pentan-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 55189809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).