2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole

C17H15FN2S — CID 90873633

IUPAC2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2cccc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C17H15FN2S/c1-11(2)16-10-21-17(20-16)15-5-3-4-14(19-15)12-6-8-13(18)9-7-12/h3-11H,1-2H3
InChIKeyCAEPHVOUBNZXMT-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.13
Rot. Bonds3

About 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole

2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 90873633) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole
PubChem CID90873633
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2cccc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C17H15FN2S/c1-11(2)16-10-21-17(20-16)15-5-3-4-14(19-15)12-6-8-13(18)9-7-12/h3-11H,1-2H3
InChIKeyCAEPHVOUBNZXMT-UHFFFAOYSA-N
XLogP5.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole (CID 90873633) is 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(-c2cccc(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is CAEPHVOUBNZXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-11(2)16-10-21-17(20-16)15-5-3-4-14(19-15)12-6-8-13(18)9-7-12/h3-11H,1-2H3.
What are the key properties of 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole?
2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 298.39 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)-2-pyridinyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 90873633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).