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

C24H24F2N2S — CID 10319392

IUPAC4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)c(CCN2CCC(=Cc3cccc(F)c3)CC2)s1
InChIInChI=1S/C24H24F2N2S/c1-17-27-24(20-5-7-21(25)8-6-20)23(29-17)11-14-28-12-9-18(10-13-28)15-19-3-2-4-22(26)16-19/h2-8,15-16H,9-14H2,1H3
InChIKeyDODPQJIQAZVIAT-UHFFFAOYSA-N
MW410.53 g/mol
LogP6.12
Rot. Bonds5

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

4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 10319392) has the molecular formula C24H24F2N2S and a molecular weight of 410.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID10319392
Molecular FormulaC24H24F2N2S
Molecular Weight410.53 g/mol
Exact Mass410.16
IUPAC Name4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)c(CCN2CCC(=Cc3cccc(F)c3)CC2)s1
InChIInChI=1S/C24H24F2N2S/c1-17-27-24(20-5-7-21(25)8-6-20)23(29-17)11-14-28-12-9-18(10-13-28)15-19-3-2-4-22(26)16-19/h2-8,15-16H,9-14H2,1H3
InChIKeyDODPQJIQAZVIAT-UHFFFAOYSA-N
XLogP6.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole (CID 10319392) is 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(F)cc2)c(CCN2CCC(=Cc3cccc(F)c3)CC2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is DODPQJIQAZVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2S/c1-17-27-24(20-5-7-21(25)8-6-20)23(29-17)11-14-28-12-9-18(10-13-28)15-19-3-2-4-22(26)16-19/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 410.53 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 10319392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).