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

C20H25FN2S — CID 20628052

IUPAC4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole
SMILESFc1ccccc1C1(c2csc(C3CCNCC3)n2)CCCCC1
InChIInChI=1S/C20H25FN2S/c21-17-7-3-2-6-16(17)20(10-4-1-5-11-20)18-14-24-19(23-18)15-8-12-22-13-9-15/h2-3,6-7,14-15,22H,1,4-5,8-13H2
InChIKeyDYEBCTLNXPBEEA-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.00
Rot. Bonds3

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

4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole (PubChem CID 20628052) has the molecular formula C20H25FN2S and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole
PubChem CID20628052
Molecular FormulaC20H25FN2S
Molecular Weight344.50 g/mol
Exact Mass344.17
IUPAC Name4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole
SMILESFc1ccccc1C1(c2csc(C3CCNCC3)n2)CCCCC1
InChIInChI=1S/C20H25FN2S/c21-17-7-3-2-6-16(17)20(10-4-1-5-11-20)18-14-24-19(23-18)15-8-12-22-13-9-15/h2-3,6-7,14-15,22H,1,4-5,8-13H2
InChIKeyDYEBCTLNXPBEEA-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole (CID 20628052) is 4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole is Fc1ccccc1C1(c2csc(C3CCNCC3)n2)CCCCC1.
What is the InChIKey of 4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is DYEBCTLNXPBEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2S/c21-17-7-3-2-6-16(17)20(10-4-1-5-11-20)18-14-24-19(23-18)15-8-12-22-13-9-15/h2-3,6-7,14-15,22H,1,4-5,8-13H2.
What are the key properties of 4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole?
4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 344.50 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)cyclohexyl]-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 20628052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).