1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid

C17H17FN2O3S — CID 51053925

IUPAC1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
SMILESCc1nc(-c2cccc(F)c2)sc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H17FN2O3S/c1-10-14(16(21)20-7-5-11(6-8-20)17(22)23)24-15(19-10)12-3-2-4-13(18)9-12/h2-4,9,11H,5-8H2,1H3,(H,22,23)
InChIKeyPINUKUQHDZQXDD-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.19
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid

1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid (PubChem CID 51053925) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
PubChem CID51053925
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
SMILESCc1nc(-c2cccc(F)c2)sc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H17FN2O3S/c1-10-14(16(21)20-7-5-11(6-8-20)17(22)23)24-15(19-10)12-3-2-4-13(18)9-12/h2-4,9,11H,5-8H2,1H3,(H,22,23)
InChIKeyPINUKUQHDZQXDD-UHFFFAOYSA-N
XLogP3.19
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 45341282
[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 32889545
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110308244
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 53031115
(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone
CID 59337865
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 86797102
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 26814306

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid (CID 51053925) is 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid is Cc1nc(-c2cccc(F)c2)sc1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is PINUKUQHDZQXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-10-14(16(21)20-7-5-11(6-8-20)17(22)23)24-15(19-10)12-3-2-4-13(18)9-12/h2-4,9,11H,5-8H2,1H3,(H,22,23).
What are the key properties of 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid?
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 51053925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).