4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole

C20H22FN3S2 — CID 143376549

IUPAC4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole
SMILESCSC1=CC=CC(c2sc(N3CCCCC3)nc2-c2ccccc2F)N1
InChIInChI=1S/C20H22FN3S2/c1-25-17-11-7-10-16(22-17)19-18(14-8-3-4-9-15(14)21)23-20(26-19)24-12-5-2-6-13-24/h3-4,7-11,16,22H,2,5-6,12-13H2,1H3
InChIKeyXKSFLESQOUXPTG-UHFFFAOYSA-N
MW387.55 g/mol
LogP5.34
Rot. Bonds4

About 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole

4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole (PubChem CID 143376549) has the molecular formula C20H22FN3S2 and a molecular weight of 387.55 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole
PubChem CID143376549
Molecular FormulaC20H22FN3S2
Molecular Weight387.55 g/mol
Exact Mass387.12
IUPAC Name4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole
SMILESCSC1=CC=CC(c2sc(N3CCCCC3)nc2-c2ccccc2F)N1
InChIInChI=1S/C20H22FN3S2/c1-25-17-11-7-10-16(22-17)19-18(14-8-3-4-9-15(14)21)23-20(26-19)24-12-5-2-6-13-24/h3-4,7-11,16,22H,2,5-6,12-13H2,1H3
InChIKeyXKSFLESQOUXPTG-UHFFFAOYSA-N
XLogP5.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole (CID 143376549) is 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole is CSC1=CC=CC(c2sc(N3CCCCC3)nc2-c2ccccc2F)N1.
What is the InChIKey of 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is XKSFLESQOUXPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3S2/c1-25-17-11-7-10-16(22-17)19-18(14-8-3-4-9-15(14)21)23-20(26-19)24-12-5-2-6-13-24/h3-4,7-11,16,22H,2,5-6,12-13H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole?
4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 387.55 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-(6-methylsulfanyl-1,2-dihydropyridin-2-yl)-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 143376549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).