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

C16H19FN2S — CID 18187474

IUPAC2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
SMILESCc1nc(Cc2ccccc2F)sc1C1CCNCC1
InChIInChI=1S/C16H19FN2S/c1-11-16(12-6-8-18-9-7-12)20-15(19-11)10-13-4-2-3-5-14(13)17/h2-5,12,18H,6-10H2,1H3
InChIKeyBWJNJNRRZMLVEF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.65
Rot. Bonds3

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

2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole (PubChem CID 18187474) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
PubChem CID18187474
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
SMILESCc1nc(Cc2ccccc2F)sc1C1CCNCC1
InChIInChI=1S/C16H19FN2S/c1-11-16(12-6-8-18-9-7-12)20-15(19-11)10-13-4-2-3-5-14(13)17/h2-5,12,18H,6-10H2,1H3
InChIKeyBWJNJNRRZMLVEF-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole (CID 18187474) is 2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole is Cc1nc(Cc2ccccc2F)sc1C1CCNCC1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is BWJNJNRRZMLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-11-16(12-6-8-18-9-7-12)20-15(19-11)10-13-4-2-3-5-14(13)17/h2-5,12,18H,6-10H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole?
2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 290.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 18187474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).