4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid

C12H18N2O3S — CID 123862313

IUPAC4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESCc1sc(C2CCN(C(=O)O)CC2)nc1C(C)O
InChIInChI=1S/C12H18N2O3S/c1-7(15)10-8(2)18-11(13-10)9-3-5-14(6-4-9)12(16)17/h7,9,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyUCPADOBTIDSYMM-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.36
Rot. Bonds2

About 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid

4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 123862313) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
PubChem CID123862313
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESCc1sc(C2CCN(C(=O)O)CC2)nc1C(C)O
InChIInChI=1S/C12H18N2O3S/c1-7(15)10-8(2)18-11(13-10)9-3-5-14(6-4-9)12(16)17/h7,9,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyUCPADOBTIDSYMM-UHFFFAOYSA-N
XLogP2.36
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (CID 123862313) is 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is Cc1sc(C2CCN(C(=O)O)CC2)nc1C(C)O.
What is the InChIKey of 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is UCPADOBTIDSYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-7(15)10-8(2)18-11(13-10)9-3-5-14(6-4-9)12(16)17/h7,9,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 123862313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).