1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid

C11H14N2O3S — CID 18073193

IUPAC1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ncsc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-7-9(17-6-12-7)10(14)13-5-3-2-4-8(13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyGERIVLAGNVFKLZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.53
Rot. Bonds2

About 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid

1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 18073193) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID18073193
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ncsc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-7-9(17-6-12-7)10(14)13-5-3-2-4-8(13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyGERIVLAGNVFKLZ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid (CID 18073193) is 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid is Cc1ncsc1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is GERIVLAGNVFKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-9(17-6-12-7)10(14)13-5-3-2-4-8(13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid?
1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18073193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).