3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid

C11H11N3O2S — CID 103485662

IUPAC3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCc1cnc(-c2nc(CCC(=O)O)cs2)nc1
InChIInChI=1S/C11H11N3O2S/c1-7-4-12-10(13-5-7)11-14-8(6-17-11)2-3-9(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyHODMENRBKZQEPE-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.93
Rot. Bonds4

About 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103485662) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103485662
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCc1cnc(-c2nc(CCC(=O)O)cs2)nc1
InChIInChI=1S/C11H11N3O2S/c1-7-4-12-10(13-5-7)11-14-8(6-17-11)2-3-9(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyHODMENRBKZQEPE-UHFFFAOYSA-N
XLogP1.93
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485287
3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485281
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485219
3-[2-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-4-yl]propanoic acid
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3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485597
3-[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485544
3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485307
3-(5-methyl-2-pyridinyl)propanoic acid
CID 79002141
3-[2-(2-methyl-1-benzofuran-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485214
3-(5-methylpyrazin-2-yl)propanoic acid
CID 82414330
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485574

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid (CID 103485662) is 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid is Cc1cnc(-c2nc(CCC(=O)O)cs2)nc1.
What is the InChIKey of 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is HODMENRBKZQEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-4-12-10(13-5-7)11-14-8(6-17-11)2-3-9(15)16/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 249.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103485662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).