4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid

C11H16N2O3S — CID 171682245

IUPAC4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ncsc1CN1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C11H16N2O3S/c1-8-9(17-7-12-8)6-13-4-2-11(16,3-5-13)10(14)15/h7,16H,2-6H2,1H3,(H,14,15)
InChIKeySEDWYYMCKWSFHP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.86
Rot. Bonds3

About 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid

4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 171682245) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
PubChem CID171682245
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ncsc1CN1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C11H16N2O3S/c1-8-9(17-7-12-8)6-13-4-2-11(16,3-5-13)10(14)15/h7,16H,2-6H2,1H3,(H,14,15)
InChIKeySEDWYYMCKWSFHP-UHFFFAOYSA-N
XLogP0.86
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
1-[4-hydroxy-3,3-dimethyl-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 155987928
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979151
4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110114381
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
CID 66025958
1-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 53193301
N,N-dimethyl-2-[[8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131663924
4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 56880244
(3R,4S)-3-benzyl-4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 164694563
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 125220060
(3aR,6aR)-5-methylsulfonyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72926836
10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986308

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid (CID 171682245) is 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid is Cc1ncsc1CN1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is SEDWYYMCKWSFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-9(17-7-12-8)6-13-4-2-11(16,3-5-13)10(14)15/h7,16H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 171682245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).