4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C14H20N2O3S — CID 106589586

IUPAC4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCOCC1CCCN(c2nc(C3CC3)c(C(=O)O)s2)C1
InChIInChI=1S/C14H20N2O3S/c1-19-8-9-3-2-6-16(7-9)14-15-11(10-4-5-10)12(20-14)13(17)18/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeyIHVPZDKKLCULEW-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.58
Rot. Bonds5

About 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 106589586) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID106589586
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCOCC1CCCN(c2nc(C3CC3)c(C(=O)O)s2)C1
InChIInChI=1S/C14H20N2O3S/c1-19-8-9-3-2-6-16(7-9)14-15-11(10-4-5-10)12(20-14)13(17)18/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeyIHVPZDKKLCULEW-UHFFFAOYSA-N
XLogP2.58
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 106589586) is 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is COCC1CCCN(c2nc(C3CC3)c(C(=O)O)s2)C1.
What is the InChIKey of 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is IHVPZDKKLCULEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-8-9-3-2-6-16(7-9)14-15-11(10-4-5-10)12(20-14)13(17)18/h9-10H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106589586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).