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

C22H30FN3OS — CID 26315467

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
SMILESCc1nc(C)c(CC(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)s1
InChIInChI=1S/C22H30FN3OS/c1-16-21(28-17(2)24-16)14-22(27)25(3)15-19-8-11-26(12-9-19)10-7-18-5-4-6-20(23)13-18/h4-6,13,19H,7-12,14-15H2,1-3H3
InChIKeyUHEVTUKZXHOYRA-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.85
Rot. Bonds7

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

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide (PubChem CID 26315467) has the molecular formula C22H30FN3OS and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
PubChem CID26315467
Molecular FormulaC22H30FN3OS
Molecular Weight403.57 g/mol
Exact Mass403.21
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
SMILESCc1nc(C)c(CC(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)s1
InChIInChI=1S/C22H30FN3OS/c1-16-21(28-17(2)24-16)14-22(27)25(3)15-19-8-11-26(12-9-19)10-7-18-5-4-6-20(23)13-18/h4-6,13,19H,7-12,14-15H2,1-3H3
InChIKeyUHEVTUKZXHOYRA-UHFFFAOYSA-N
XLogP3.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide (CID 26315467) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide is Cc1nc(C)c(CC(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is UHEVTUKZXHOYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3OS/c1-16-21(28-17(2)24-16)14-22(27)25(3)15-19-8-11-26(12-9-19)10-7-18-5-4-6-20(23)13-18/h4-6,13,19H,7-12,14-15H2,1-3H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 403.57 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 26315467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).