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

C19H21FN2O3S — CID 119178283

IUPAC2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=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)
InChIKeyQJBDTCLXRRWALK-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.51
Rot. Bonds5

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 Name2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
PubChem CID119178283
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=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)
InChIKeyQJBDTCLXRRWALK-UHFFFAOYSA-N
XLogP3.51
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).