2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid

C14H10N2O2S2 — CID 8890791

IUPAC2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2ccccn2)nc1-c1cccs1
InChIInChI=1S/C14H10N2O2S2/c17-12(18)8-11-13(10-5-3-7-19-10)16-14(20-11)9-4-1-2-6-15-9/h1-7H,8H2,(H,17,18)
InChIKeyYELWQAWDDDFCSN-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid

2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid (PubChem CID 8890791) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid
PubChem CID8890791
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2ccccn2)nc1-c1cccs1
InChIInChI=1S/C14H10N2O2S2/c17-12(18)8-11-13(10-5-3-7-19-10)16-14(20-11)9-4-1-2-6-15-9/h1-7H,8H2,(H,17,18)
InChIKeyYELWQAWDDDFCSN-UHFFFAOYSA-N
XLogP3.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-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-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid (CID 8890791) is 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid is O=C(O)Cc1sc(-c2ccccn2)nc1-c1cccs1.
What is the InChIKey of 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is YELWQAWDDDFCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c17-12(18)8-11-13(10-5-3-7-19-10)16-14(20-11)9-4-1-2-6-15-9/h1-7H,8H2,(H,17,18).
What are the key properties of 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid?
2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 302.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 8890791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).