1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid

C16H17FN2O2S — CID 122040351

IUPAC1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cnc(-c2ccccc2F)s1
InChIInChI=1S/C16H17FN2O2S/c17-13-6-2-1-5-12(13)15-18-9-11(22-15)10-19-8-4-3-7-14(19)16(20)21/h1-2,5-6,9,14H,3-4,7-8,10H2,(H,20,21)
InChIKeyJZWJDBBNRDRDLV-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.39
Rot. Bonds4

About 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid

1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid (PubChem CID 122040351) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
PubChem CID122040351
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cnc(-c2ccccc2F)s1
InChIInChI=1S/C16H17FN2O2S/c17-13-6-2-1-5-12(13)15-18-9-11(22-15)10-19-8-4-3-7-14(19)16(20)21/h1-2,5-6,9,14H,3-4,7-8,10H2,(H,20,21)
InChIKeyJZWJDBBNRDRDLV-UHFFFAOYSA-N
XLogP3.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038693
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 71649579
1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122036431
(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 164610990
(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038731
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 164610615
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(5-phenylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040447
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid (CID 122040351) is 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cnc(-c2ccccc2F)s1.
What is the InChIKey of 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid?
The InChIKey is JZWJDBBNRDRDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-13-6-2-1-5-12(13)15-18-9-11(22-15)10-19-8-4-3-7-14(19)16(20)21/h1-2,5-6,9,14H,3-4,7-8,10H2,(H,20,21).
What are the key properties of 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid?
1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122040351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).