3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid

C11H11N3O3S — CID 103485597

IUPAC3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCOc1cc(-c2nc(CCC(=O)O)cs2)ncn1
InChIInChI=1S/C11H11N3O3S/c1-17-9-4-8(12-6-13-9)11-14-7(5-18-11)2-3-10(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyFLKFTLDTXGNOQE-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.63
Rot. Bonds5

About 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103485597) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103485597
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCOc1cc(-c2nc(CCC(=O)O)cs2)ncn1
InChIInChI=1S/C11H11N3O3S/c1-17-9-4-8(12-6-13-9)11-14-7(5-18-11)2-3-10(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyFLKFTLDTXGNOQE-UHFFFAOYSA-N
XLogP1.63
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]methanol
CID 102953130
1-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 102952552
2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-ol
CID 130501534
3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485662
3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487409
ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 102949786
3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485574
3-[2-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485287
2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 103372970
3-[2-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 82501467
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid (CID 103485597) is 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid is COc1cc(-c2nc(CCC(=O)O)cs2)ncn1.
What is the InChIKey of 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is FLKFTLDTXGNOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-17-9-4-8(12-6-13-9)11-14-7(5-18-11)2-3-10(15)16/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 265.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103485597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).