2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid

C19H21FN2O3S — CID 119178283

About 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid

2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid (PubChem CID 119178283) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
• PubChem CID: 119178283
• Molecular Formula: C19H21FN2O3S
• Molecular Weight: 376.45 g/mol
• Exact Mass: 376.13
• IUPAC Name: 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
• SMILES: Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)O)CC1
• InChI: InChI=1S/C19H21FN2O3S/c1-12-18(19(25)22-8-6-14(7-9-22)11-17(23)24)26-16(21-12)10-13-2-4-15(20)5-3-13/h2-5,14H,6-11H2,1H3,(H,23,24)
• InChIKey: QJBDTCLXRRWALK-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 70.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.45
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid?

The IUPAC name of 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid (CID 119178283) is 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid.

What is the SMILES notation for 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid?

The canonical SMILES for 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)O)CC1.

What is the InChIKey of 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid?

The InChIKey is QJBDTCLXRRWALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-12-18(19(25)22-8-6-14(7-9-22)11-17(23)24)26-16(21-12)10-13-2-4-15(20)5-3-13/h2-5,14H,6-11H2,1H3,(H,23,24).

What are the key properties of 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid?

2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid has a molecular weight of 376.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).