4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

C13H20N2O3S — CID 62764272

IUPAC4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOC1CCCN(c2nc(C)c(C(=O)O)s2)C1
InChIInChI=1S/C13H20N2O3S/c1-3-7-18-10-5-4-6-15(8-10)13-14-9(2)11(19-13)12(16)17/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyZQNKLETYCVCXPQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.55
Rot. Bonds5

About 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62764272) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID62764272
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOC1CCCN(c2nc(C)c(C(=O)O)s2)C1
InChIInChI=1S/C13H20N2O3S/c1-3-7-18-10-5-4-6-15(8-10)13-14-9(2)11(19-13)12(16)17/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyZQNKLETYCVCXPQ-UHFFFAOYSA-N
XLogP2.55
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63918180
ethyl 5-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526769
2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765118
[4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63918201
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316
2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753542
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853
[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62769335
N-[[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62767587
2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55112644
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 62764272) is 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is CCCOC1CCCN(c2nc(C)c(C(=O)O)s2)C1.
What is the InChIKey of 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZQNKLETYCVCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-7-18-10-5-4-6-15(8-10)13-14-9(2)11(19-13)12(16)17/h10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).