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

C17H21FN2S — CID 18187442

IUPAC4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESCCc1nc(Cc2ccc(F)cc2)sc1C1CCNCC1
InChIInChI=1S/C17H21FN2S/c1-2-15-17(13-7-9-19-10-8-13)21-16(20-15)11-12-3-5-14(18)6-4-12/h3-6,13,19H,2,7-11H2,1H3
InChIKeyQJAAPCNCDFNARO-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.90
Rot. Bonds4

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

4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (PubChem CID 18187442) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
PubChem CID18187442
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESCCc1nc(Cc2ccc(F)cc2)sc1C1CCNCC1
InChIInChI=1S/C17H21FN2S/c1-2-15-17(13-7-9-19-10-8-13)21-16(20-15)11-12-3-5-14(18)6-4-12/h3-6,13,19H,2,7-11H2,1H3
InChIKeyQJAAPCNCDFNARO-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (CID 18187442) is 4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is CCc1nc(Cc2ccc(F)cc2)sc1C1CCNCC1.
What is the InChIKey of 4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is QJAAPCNCDFNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-2-15-17(13-7-9-19-10-8-13)21-16(20-15)11-12-3-5-14(18)6-4-12/h3-6,13,19H,2,7-11H2,1H3.
What are the key properties of 4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 304.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 18187442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).