(2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid

C15H16N2O3S2 — CID 122116190

IUPAC(2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H16N2O3S2/c1-9-10(15(19)20)4-2-6-17(9)14(18)11-8-22-13(16-11)12-5-3-7-21-12/h3,5,7-10H,2,4,6H2,1H3,(H,19,20)/t9-,10-/m1/s1
InChIKeyFMMMVTWDHOEORR-NXEZZACHSA-N
MW336.44 g/mol
LogP3.20
Rot. Bonds3

About (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122116190) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID122116190
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name(2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H16N2O3S2/c1-9-10(15(19)20)4-2-6-17(9)14(18)11-8-22-13(16-11)12-5-3-7-21-12/h3,5,7-10H,2,4,6H2,1H3,(H,19,20)/t9-,10-/m1/s1
InChIKeyFMMMVTWDHOEORR-NXEZZACHSA-N
XLogP3.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid (CID 122116190) is (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is FMMMVTWDHOEORR-NXEZZACHSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-9-10(15(19)20)4-2-6-17(9)14(18)11-8-22-13(16-11)12-5-3-7-21-12/h3,5,7-10H,2,4,6H2,1H3,(H,19,20)/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 336.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122116190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).