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

C10H14N2O3S — CID 71208660

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(CO)CC2)s1
InChIInChI=1S/C10H14N2O3S/c13-6-7-1-3-12(4-2-7)10-11-5-8(16-10)9(14)15/h5,7,13H,1-4,6H2,(H,14,15)
InChIKeyNWQXOYFADURSBY-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.05
Rot. Bonds3

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

2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 71208660) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID71208660
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(CO)CC2)s1
InChIInChI=1S/C10H14N2O3S/c13-6-7-1-3-12(4-2-7)10-11-5-8(16-10)9(14)15/h5,7,13H,1-4,6H2,(H,14,15)
InChIKeyNWQXOYFADURSBY-UHFFFAOYSA-N
XLogP1.05
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 71208660) is 2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCC(CO)CC2)s1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is NWQXOYFADURSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-6-7-1-3-12(4-2-7)10-11-5-8(16-10)9(14)15/h5,7,13H,1-4,6H2,(H,14,15).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 71208660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).