4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

C11H14N2O3S — CID 140660522

IUPAC4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESCc1nc(C2CCN(C(=O)O)CC2)sc1C=O
InChIInChI=1S/C11H14N2O3S/c1-7-9(6-14)17-10(12-7)8-2-4-13(5-3-8)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyDHRPJOIXSLWGBW-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.12
Rot. Bonds2

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

4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (PubChem CID 140660522) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
PubChem CID140660522
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESCc1nc(C2CCN(C(=O)O)CC2)sc1C=O
InChIInChI=1S/C11H14N2O3S/c1-7-9(6-14)17-10(12-7)8-2-4-13(5-3-8)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyDHRPJOIXSLWGBW-UHFFFAOYSA-N
XLogP2.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (CID 140660522) is 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is Cc1nc(C2CCN(C(=O)O)CC2)sc1C=O.
What is the InChIKey of 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is DHRPJOIXSLWGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-9(6-14)17-10(12-7)8-2-4-13(5-3-8)11(15)16/h6,8H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 140660522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).