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

C15H22N2O3S — CID 63918180

IUPAC4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOC1CCCN(c2nc(C3CC3)c(C(=O)O)s2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-8-20-11-4-3-7-17(9-11)15-16-12(10-5-6-10)13(21-15)14(18)19/h10-11H,2-9H2,1H3,(H,18,19)
InChIKeyUHMXPVJQTMKNIV-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.11
Rot. Bonds6

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

4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 63918180) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID63918180
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOC1CCCN(c2nc(C3CC3)c(C(=O)O)s2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-8-20-11-4-3-7-17(9-11)15-16-12(10-5-6-10)13(21-15)14(18)19/h10-11H,2-9H2,1H3,(H,18,19)
InChIKeyUHMXPVJQTMKNIV-UHFFFAOYSA-N
XLogP3.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.11
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-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 63918180) is 4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is CCCOC1CCCN(c2nc(C3CC3)c(C(=O)O)s2)C1.
What is the InChIKey of 4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is UHMXPVJQTMKNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-8-20-11-4-3-7-17(9-11)15-16-12(10-5-6-10)13(21-15)14(18)19/h10-11H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63918180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).