2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C9H11FN2O2S — CID 143277520

IUPAC2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC[C@@H](F)C2)s1
InChIInChI=1S/C9H11FN2O2S/c10-6-2-1-3-12(5-6)9-11-4-7(15-9)8(13)14/h4,6H,1-3,5H2,(H,13,14)/t6-/m1/s1
InChIKeyMZBZUIDQFYVDIK-ZCFIWIBFSA-N
MW230.26 g/mol
LogP1.78
Rot. Bonds2

About 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 143277520) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID143277520
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Name2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC[C@@H](F)C2)s1
InChIInChI=1S/C9H11FN2O2S/c10-6-2-1-3-12(5-6)9-11-4-7(15-9)8(13)14/h4,6H,1-3,5H2,(H,13,14)/t6-/m1/s1
InChIKeyMZBZUIDQFYVDIK-ZCFIWIBFSA-N
XLogP1.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Morpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 15475835
2-(Pyrrolidin-1-yl)thiazole-5-carboxylic acid
CID 24229715
2-(Dimethylamino)-1,3-thiazole-5-carboxylic acid
CID 62753131
2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}-1,3-thiazole-5-carboxylic acid
CID 67294012
2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 54595164
2-(4-Methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752431
2-{2-Azabicyclo[2.2.1]heptan-2-yl}-1,3-thiazole-5-carboxylic acid
CID 62753997
2-(4-Methyl-1-piperazinyl)-5-thiazolecarboxylic acid
CID 54595165
Fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
CID 143108154
2-[(2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 156774314
2-[(2S)-2-(difluoromethoxymethyl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 156774484
2-[2-(Difluoromethoxymethyl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 175148006

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 143277520) is 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCC[C@@H](F)C2)s1.
What is the InChIKey of 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is MZBZUIDQFYVDIK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c10-6-2-1-3-12(5-6)9-11-4-7(15-9)8(13)14/h4,6H,1-3,5H2,(H,13,14)/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 143277520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).