4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine

C20H20FN3S — CID 44399544

IUPAC4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-pyridin-4-yl-1,3-thiazole
SMILESCN1CCC(CC1)C2=NC(=C(S2)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChIInChI=1S/C20H20FN3S/c1-24-12-8-16(9-13-24)20-23-18(14-2-4-17(21)5-3-14)19(25-20)15-6-10-22-11-7-15/h2-7,10-11,16H,8-9,12-13H2,1H3
InChIKeyTWUBYHAQGSIDKR-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.90
Rot. Bonds3

About 4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine

4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine (PubChem CID 44399544) has the molecular formula C20H20FN3S and a molecular weight of 353.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine
PubChem CID44399544
Molecular FormulaC20H20FN3S
Molecular Weight353.50 g/mol
Exact Mass353.14
IUPAC Name4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-pyridin-4-yl-1,3-thiazole
SMILESCN1CCC(CC1)C2=NC(=C(S2)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChIInChI=1S/C20H20FN3S/c1-24-12-8-16(9-13-24)20-23-18(14-2-4-17(21)5-3-14)19(25-20)15-6-10-22-11-7-15/h2-7,10-11,16H,8-9,12-13H2,1H3
InChIKeyTWUBYHAQGSIDKR-UHFFFAOYSA-N
XLogP3.90
TPSA57.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity415

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 600616
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CID 11277481
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CID 11615445
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CID 9901453
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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine?
The IUPAC name of 4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine (CID 44399544) is 4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine?
The canonical SMILES for 4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine is CN1CCC(CC1)C2=NC(=C(S2)C3=CC=NC=C3)C4=CC=C(C=C4)F.
What is the InChIKey of 4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine?
The InChIKey is TWUBYHAQGSIDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3S/c1-24-12-8-16(9-13-24)20-23-18(14-2-4-17(21)5-3-14)19(25-20)15-6-10-22-11-7-15/h2-7,10-11,16H,8-9,12-13H2,1H3.
What are the key properties of 4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine?
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine has a molecular weight of 353.50 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-thiazol-5-yl]-pyridine is sourced from PubChem (CID 44399544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).