5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid

C19H14N4O4S — CID 162757056

IUPAC5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2cc(C(=O)O)co2)n1
InChIInChI=1S/C19H14N4O4S/c1-11-17(28-16(22-11)10-27-19-20-6-3-7-21-19)14-5-2-4-13(23-14)15-8-12(9-26-15)18(24)25/h2-9H,10H2,1H3,(H,24,25)
InChIKeyPJPUOYLYMYZUTB-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.84
Rot. Bonds6

About 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid

5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid (PubChem CID 162757056) has the molecular formula C19H14N4O4S and a molecular weight of 394.41 g/mol. Its IUPAC name is 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid
PubChem CID162757056
Molecular FormulaC19H14N4O4S
Molecular Weight394.41 g/mol
Exact Mass394.07
IUPAC Name5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2cc(C(=O)O)co2)n1
InChIInChI=1S/C19H14N4O4S/c1-11-17(28-16(22-11)10-27-19-20-6-3-7-21-19)14-5-2-4-13(23-14)15-8-12(9-26-15)18(24)25/h2-9H,10H2,1H3,(H,24,25)
InChIKeyPJPUOYLYMYZUTB-UHFFFAOYSA-N
XLogP3.84
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid?
The IUPAC name of 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid (CID 162757056) is 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid is Cc1nc(COc2ncccn2)sc1-c1cccc(-c2cc(C(=O)O)co2)n1.
What is the InChIKey of 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid?
The InChIKey is PJPUOYLYMYZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4S/c1-11-17(28-16(22-11)10-27-19-20-6-3-7-21-19)14-5-2-4-13(23-14)15-8-12(9-26-15)18(24)25/h2-9H,10H2,1H3,(H,24,25).
What are the key properties of 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid?
5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid has a molecular weight of 394.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]furan-3-carboxylic acid is sourced from PubChem (CID 162757056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).