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

C15H17FN2S — CID 18187499

IUPAC2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESFc1cccc(Cc2ncc(C3CCNCC3)s2)c1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-2-11(8-13)9-15-18-10-14(19-15)12-4-6-17-7-5-12/h1-3,8,10,12,17H,4-7,9H2
InChIKeyJBXKFXZGOMEHGO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.34
Rot. Bonds3

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

2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (PubChem CID 18187499) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
PubChem CID18187499
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESFc1cccc(Cc2ncc(C3CCNCC3)s2)c1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-2-11(8-13)9-15-18-10-14(19-15)12-4-6-17-7-5-12/h1-3,8,10,12,17H,4-7,9H2
InChIKeyJBXKFXZGOMEHGO-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (CID 18187499) is 2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is Fc1cccc(Cc2ncc(C3CCNCC3)s2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is JBXKFXZGOMEHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-3-1-2-11(8-13)9-15-18-10-14(19-15)12-4-6-17-7-5-12/h1-3,8,10,12,17H,4-7,9H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 276.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 18187499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).