1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid

C16H15FN2O3S — CID 167911729

IUPAC1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C16H15FN2O3S/c17-11-6-2-1-5-10(11)14-18-12(9-23-14)15(20)19-8-4-3-7-13(19)16(21)22/h1-2,5-6,9,13H,3-4,7-8H2,(H,21,22)
InChIKeyBTMCFZAWGJKZJV-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.03
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid

1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid (PubChem CID 167911729) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
PubChem CID167911729
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C16H15FN2O3S/c17-11-6-2-1-5-10(11)14-18-12(9-23-14)15(20)19-8-4-3-7-13(19)16(21)22/h1-2,5-6,9,13H,3-4,7-8H2,(H,21,22)
InChIKeyBTMCFZAWGJKZJV-UHFFFAOYSA-N
XLogP3.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 119175795
(2S)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 99639921
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 97201597
(2R)-1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537472
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119651638
(2S)-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125149679
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid (CID 167911729) is 1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is BTMCFZAWGJKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c17-11-6-2-1-5-10(11)14-18-12(9-23-14)15(20)19-8-4-3-7-13(19)16(21)22/h1-2,5-6,9,13H,3-4,7-8H2,(H,21,22).
What are the key properties of 1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid?
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 3.03, 3 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-thiazole-4-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 167911729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).