1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid

C13H18N2O4S — CID 175132582

IUPAC1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid
SMILESCC1CN(C)C(c2nccs2)C(C)(C(=O)O)C1C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-7-6-15(3)9(10-14-4-5-20-10)13(2,12(18)19)8(7)11(16)17/h4-5,7-9H,6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAYOWPGVKCPOGRB-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.56
Rot. Bonds3

About 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid

1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid (PubChem CID 175132582) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid
PubChem CID175132582
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid
SMILESCC1CN(C)C(c2nccs2)C(C)(C(=O)O)C1C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-7-6-15(3)9(10-14-4-5-20-10)13(2,12(18)19)8(7)11(16)17/h4-5,7-9H,6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAYOWPGVKCPOGRB-UHFFFAOYSA-N
XLogP1.56
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid (CID 175132582) is 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid is CC1CN(C)C(c2nccs2)C(C)(C(=O)O)C1C(=O)O.
What is the InChIKey of 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid?
The InChIKey is AYOWPGVKCPOGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-7-6-15(3)9(10-14-4-5-20-10)13(2,12(18)19)8(7)11(16)17/h4-5,7-9H,6H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid?
1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 175132582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).