4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid

C12H18N2O2S — CID 55178929

IUPAC4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C12H18N2O2S/c1-3-12(10(15)16)4-6-14(7-5-12)11-13-9(2)8-17-11/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyNPVUBXDEXFBRGA-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.53
Rot. Bonds3

About 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid

4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 55178929) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
PubChem CID55178929
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C12H18N2O2S/c1-3-12(10(15)16)4-6-14(7-5-12)11-13-9(2)8-17-11/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyNPVUBXDEXFBRGA-UHFFFAOYSA-N
XLogP2.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid (CID 55178929) is 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2nc(C)cs2)CC1.
What is the InChIKey of 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is NPVUBXDEXFBRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-12(10(15)16)4-6-14(7-5-12)11-13-9(2)8-17-11/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55178929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).