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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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).