N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide

C20H25F2N3OS — CID 118289542

IUPACN-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
SMILESCc1ncc(C(CNC(=O)c2c(C)cccc2C)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C20H25F2N3OS/c1-13-5-4-6-14(2)18(13)19(26)24-11-16(17-12-23-15(3)27-17)25-9-7-20(21,22)8-10-25/h4-6,12,16H,7-11H2,1-3H3,(H,24,26)
InChIKeyJIEKVZJPMBBLRV-UHFFFAOYSA-N
MW393.50 g/mol
LogP4.27
Rot. Bonds5

About N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide

N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide (PubChem CID 118289542) has the molecular formula C20H25F2N3OS and a molecular weight of 393.50 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
PubChem CID118289542
Molecular FormulaC20H25F2N3OS
Molecular Weight393.50 g/mol
Exact Mass393.17
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
SMILESCc1ncc(C(CNC(=O)c2c(C)cccc2C)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C20H25F2N3OS/c1-13-5-4-6-14(2)18(13)19(26)24-11-16(17-12-23-15(3)27-17)25-9-7-20(21,22)8-10-25/h4-6,12,16H,7-11H2,1-3H3,(H,24,26)
InChIKeyJIEKVZJPMBBLRV-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide (CID 118289542) is N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide is Cc1ncc(C(CNC(=O)c2c(C)cccc2C)N2CCC(F)(F)CC2)s1.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
The InChIKey is JIEKVZJPMBBLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3OS/c1-13-5-4-6-14(2)18(13)19(26)24-11-16(17-12-23-15(3)27-17)25-9-7-20(21,22)8-10-25/h4-6,12,16H,7-11H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide has a molecular weight of 393.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 118289542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).