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

C11H12N2O2S — CID 23467909

IUPAC2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid
SMILESCC1(CC(=O)O)CSC(c2cccnc2)=N1
InChIInChI=1S/C11H12N2O2S/c1-11(5-9(14)15)7-16-10(13-11)8-3-2-4-12-6-8/h2-4,6H,5,7H2,1H3,(H,14,15)
InChIKeyQDCHNAWEDNHKGT-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.81
Rot. Bonds3

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

2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid (PubChem CID 23467909) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid
PubChem CID23467909
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid
SMILESCC1(CC(=O)O)CSC(c2cccnc2)=N1
InChIInChI=1S/C11H12N2O2S/c1-11(5-9(14)15)7-16-10(13-11)8-3-2-4-12-6-8/h2-4,6H,5,7H2,1H3,(H,14,15)
InChIKeyQDCHNAWEDNHKGT-UHFFFAOYSA-N
XLogP1.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole
CID 102236722
(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7032537
starbld0041303
CID 155894831
3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
CID 59649089
(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 7032538
5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid
CID 59335660
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131869932
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
2-(2-chloro-5-pyridin-3-ylphenyl)acetic acid
CID 166638918
6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide
CID 118780109
[(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate
CID 123461305

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid (CID 23467909) is 2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid is CC1(CC(=O)O)CSC(c2cccnc2)=N1.
What is the InChIKey of 2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid?
The InChIKey is QDCHNAWEDNHKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-11(5-9(14)15)7-16-10(13-11)8-3-2-4-12-6-8/h2-4,6H,5,7H2,1H3,(H,14,15).
What are the key properties of 2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid?
2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid has a molecular weight of 236.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 23467909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).