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

C12H12N2O2S — CID 82131126

IUPAC2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCc2ccccn2)n1
InChIInChI=1S/C12H12N2O2S/c15-12(16)7-10-8-17-11(14-10)5-4-9-3-1-2-6-13-9/h1-3,6,8H,4-5,7H2,(H,15,16)
InChIKeyVTGHOAPLGNCKSD-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.95
Rot. Bonds5

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

2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 82131126) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID82131126
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCc2ccccn2)n1
InChIInChI=1S/C12H12N2O2S/c15-12(16)7-10-8-17-11(14-10)5-4-9-3-1-2-6-13-9/h1-3,6,8H,4-5,7H2,(H,15,16)
InChIKeyVTGHOAPLGNCKSD-UHFFFAOYSA-N
XLogP1.95
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 94275057
N-tert-butyl-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389545
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 110389490
1-(4-acetylpiperazin-1-yl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]ethanone
CID 110389506
N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389584
2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82088222
N-(2,4-dimethylphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389560
2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
CID 94274570
CID 131857449
CID 131857449
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389528
N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389581
2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid (CID 82131126) is 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CCc2ccccn2)n1.
What is the InChIKey of 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is VTGHOAPLGNCKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(16)7-10-8-17-11(14-10)5-4-9-3-1-2-6-13-9/h1-3,6,8H,4-5,7H2,(H,15,16).
What are the key properties of 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 248.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82131126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).