N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide

C22H30FN3OS — CID 59542691

IUPACN-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC1CC(C)NC(c2nc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C22H30FN3OS/c1-14-10-15(2)24-19(11-14)20-25-17(13-28-20)12-26(21(27)22(3,4)5)18-8-6-16(23)7-9-18/h6-9,13-15,19,24H,10-12H2,1-5H3
InChIKeyRTBSNUZDNZAQNW-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.31
Rot. Bonds4

About N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide

N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide (PubChem CID 59542691) has the molecular formula C22H30FN3OS and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
PubChem CID59542691
Molecular FormulaC22H30FN3OS
Molecular Weight403.57 g/mol
Exact Mass403.21
IUPAC NameN-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC1CC(C)NC(c2nc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C22H30FN3OS/c1-14-10-15(2)24-19(11-14)20-25-17(13-28-20)12-26(21(27)22(3,4)5)18-8-6-16(23)7-9-18/h6-9,13-15,19,24H,10-12H2,1-5H3
InChIKeyRTBSNUZDNZAQNW-UHFFFAOYSA-N
XLogP5.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide (CID 59542691) is N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide is CC1CC(C)NC(c2nc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cs2)C1.
What is the InChIKey of N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is RTBSNUZDNZAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3OS/c1-14-10-15(2)24-19(11-14)20-25-17(13-28-20)12-26(21(27)22(3,4)5)18-8-6-16(23)7-9-18/h6-9,13-15,19,24H,10-12H2,1-5H3.
What are the key properties of N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 403.57 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59542691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).