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

C19H14N4O3S2 — CID 169320207

IUPAC5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C19H14N4O3S2/c1-11-17(28-16(22-11)10-26-19-20-8-3-9-21-19)13-5-2-4-12(23-13)14-6-7-15(27-14)18(24)25/h2-9H,10H2,1H3,(H,24,25)
InChIKeyVMYVAJYVLAHOFI-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.31
Rot. Bonds6

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

5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid (PubChem CID 169320207) has the molecular formula C19H14N4O3S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid
PubChem CID169320207
Molecular FormulaC19H14N4O3S2
Molecular Weight410.48 g/mol
Exact Mass410.05
IUPAC Name5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C19H14N4O3S2/c1-11-17(28-16(22-11)10-26-19-20-8-3-9-21-19)13-5-2-4-12(23-13)14-6-7-15(27-14)18(24)25/h2-9H,10H2,1H3,(H,24,25)
InChIKeyVMYVAJYVLAHOFI-UHFFFAOYSA-N
XLogP4.31
TPSA98.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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CID 162757266
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CID 162757364
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US20230348450, Example 95
CID 162757169
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CID 162757234
US20230348450, Example 79
CID 162757343
US20230348450, Example 43
CID 162757240
US20230348450, Example 37
CID 162757042
US20230348450, Example 27
CID 162757149
US20230348450, Example 76
CID 162757155

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid (CID 169320207) is 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid is Cc1nc(COc2ncccn2)sc1-c1cccc(-c2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid?
The InChIKey is VMYVAJYVLAHOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S2/c1-11-17(28-16(22-11)10-26-19-20-8-3-9-21-19)13-5-2-4-12(23-13)14-6-7-15(27-14)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]thiophene-2-carboxylic acid?
5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-2-carboxylic acid has a molecular weight of 410.48 g/mol, XLogP of 4.31, 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]thiophene-2-carboxylic acid is sourced from PubChem (CID 169320207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).