2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid

C17H14N2O2S — CID 2384336

IUPAC2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2sc(-c3cccnc3)nc2CC(=O)O)cc1
InChIInChI=1S/C17H14N2O2S/c1-11-4-6-12(7-5-11)16-14(9-15(20)21)19-17(22-16)13-3-2-8-18-10-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyCRXLLIBBAXYXBQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.81
Rot. Bonds4

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

2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid (PubChem CID 2384336) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
PubChem CID2384336
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2sc(-c3cccnc3)nc2CC(=O)O)cc1
InChIInChI=1S/C17H14N2O2S/c1-11-4-6-12(7-5-11)16-14(9-15(20)21)19-17(22-16)13-3-2-8-18-10-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyCRXLLIBBAXYXBQ-UHFFFAOYSA-N
XLogP3.81
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid (CID 2384336) is 2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid is Cc1ccc(-c2sc(-c3cccnc3)nc2CC(=O)O)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CRXLLIBBAXYXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11-4-6-12(7-5-11)16-14(9-15(20)21)19-17(22-16)13-3-2-8-18-10-13/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid?
2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid has a molecular weight of 310.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 2384336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).