4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid

C15H18N2O2S2 — CID 114426304

IUPAC4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
SMILESCC1CCN(Cc2csc(-c3ccsc3)n2)C(C(=O)O)C1
InChIInChI=1S/C15H18N2O2S2/c1-10-2-4-17(13(6-10)15(18)19)7-12-9-21-14(16-12)11-3-5-20-8-11/h3,5,8-10,13H,2,4,6-7H2,1H3,(H,18,19)
InChIKeyPIVGWMHKDHTAEA-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.56
Rot. Bonds4

About 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid

4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 114426304) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
PubChem CID114426304
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
SMILESCC1CCN(Cc2csc(-c3ccsc3)n2)C(C(=O)O)C1
InChIInChI=1S/C15H18N2O2S2/c1-10-2-4-17(13(6-10)15(18)19)7-12-9-21-14(16-12)11-3-5-20-8-11/h3,5,8-10,13H,2,4,6-7H2,1H3,(H,18,19)
InChIKeyPIVGWMHKDHTAEA-UHFFFAOYSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913874
4-methyl-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid
CID 114426332
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 53498925
(2S,3aS,7aS)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125148477
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62734410
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 114426836
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 164632402
[(2S,3R)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 138038005
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylic acid
CID 114426519
(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549349

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid (CID 114426304) is 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid is CC1CCN(Cc2csc(-c3ccsc3)n2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is PIVGWMHKDHTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-10-2-4-17(13(6-10)15(18)19)7-12-9-21-14(16-12)11-3-5-20-8-11/h3,5,8-10,13H,2,4,6-7H2,1H3,(H,18,19).
What are the key properties of 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid?
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 322.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114426304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).