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

C10H8N2O2S — CID 4962605

IUPAC2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C10H8N2O2S/c13-9(14)4-8-6-15-10(12-8)7-2-1-3-11-5-7/h1-3,5-6H,4H2,(H,13,14)
InChIKeyZKEORNUIZYBTGA-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.83
Rot. Bonds3

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

2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid (PubChem CID 4962605) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid
PubChem CID4962605
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C10H8N2O2S/c13-9(14)4-8-6-15-10(12-8)7-2-1-3-11-5-7/h1-3,5-6H,4H2,(H,13,14)
InChIKeyZKEORNUIZYBTGA-UHFFFAOYSA-N
XLogP1.83
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid (CID 4962605) is 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid is O=C(O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is ZKEORNUIZYBTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-9(14)4-8-6-15-10(12-8)7-2-1-3-11-5-7/h1-3,5-6H,4H2,(H,13,14).
What are the key properties of 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid?
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 220.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 4962605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).