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

C20H20N2O4S2 — CID 169320209

IUPAC5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid
SMILESCc1nc(COC2CCCOC2)sc1-c1cccc(-c2cc(C(=O)O)cs2)n1
InChIInChI=1S/C20H20N2O4S2/c1-12-19(28-18(21-12)10-26-14-4-3-7-25-9-14)16-6-2-5-15(22-16)17-8-13(11-27-17)20(23)24/h2,5-6,8,11,14H,3-4,7,9-10H2,1H3,(H,23,24)
InChIKeyZMNATMFFDSXHSA-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.64
Rot. Bonds6

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

5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid (PubChem CID 169320209) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid
PubChem CID169320209
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid
SMILESCc1nc(COC2CCCOC2)sc1-c1cccc(-c2cc(C(=O)O)cs2)n1
InChIInChI=1S/C20H20N2O4S2/c1-12-19(28-18(21-12)10-26-14-4-3-7-25-9-14)16-6-2-5-15(22-16)17-8-13(11-27-17)20(23)24/h2,5-6,8,11,14H,3-4,7,9-10H2,1H3,(H,23,24)
InChIKeyZMNATMFFDSXHSA-UHFFFAOYSA-N
XLogP4.64
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

US20230348450, Example 270
CID 162757030
US20230348450, Example 75
CID 162757130
US20230348450, Example 41
CID 162757205
5-[6-[4-Methyl-2-(oxan-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid
CID 162757225
2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one
CID 167489391
[2-[2-(4-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate
CID 37547293
5-[2-(6-Methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63555231
5-[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 64539640
5-[2-(1,4-Dioxan-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 65351313
3-[2-(1,4-Dioxan-2-yl)-1,3-thiazol-4-yl]benzoic acid
CID 65351990
5-[2-(4-Methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 79077068
3-[2-(4-Methylmorpholin-2-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79096740

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid (CID 169320209) is 5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid is Cc1nc(COC2CCCOC2)sc1-c1cccc(-c2cc(C(=O)O)cs2)n1.
What is the InChIKey of 5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid?
The InChIKey is ZMNATMFFDSXHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-12-19(28-18(21-12)10-26-14-4-3-7-25-9-14)16-6-2-5-15(22-16)17-8-13(11-27-17)20(23)24/h2,5-6,8,11,14H,3-4,7,9-10H2,1H3,(H,23,24).
What are the key properties of 5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid?
5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid has a molecular weight of 416.52 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-methyl-2-(oxan-3-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 169320209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).