2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone

C20H25FN2OS — CID 46972217

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESCc1nc(C)c(CC(=O)N2CCC(CCc3ccccc3F)CC2)s1
InChIInChI=1S/C20H25FN2OS/c1-14-19(25-15(2)22-14)13-20(24)23-11-9-16(10-12-23)7-8-17-5-3-4-6-18(17)21/h3-6,16H,7-13H2,1-2H3
InChIKeyUNDOCNHNUVZLBW-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.31
Rot. Bonds5

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 46972217) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID46972217
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESCc1nc(C)c(CC(=O)N2CCC(CCc3ccccc3F)CC2)s1
InChIInChI=1S/C20H25FN2OS/c1-14-19(25-15(2)22-14)13-20(24)23-11-9-16(10-12-23)7-8-17-5-3-4-6-18(17)21/h3-6,16H,7-13H2,1-2H3
InChIKeyUNDOCNHNUVZLBW-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone (CID 46972217) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone is Cc1nc(C)c(CC(=O)N2CCC(CCc3ccccc3F)CC2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is UNDOCNHNUVZLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS/c1-14-19(25-15(2)22-14)13-20(24)23-11-9-16(10-12-23)7-8-17-5-3-4-6-18(17)21/h3-6,16H,7-13H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 360.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46972217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).