N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide

C20H27FN4OS — CID 59542790

IUPACN-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCN1CCN(c2nc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C20H27FN4OS/c1-20(2,3)18(26)25(17-7-5-15(21)6-8-17)13-16-14-27-19(22-16)24-11-9-23(4)10-12-24/h5-8,14H,9-13H2,1-4H3
InChIKeyNTRYZVLAFJHVET-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.61
Rot. Bonds4

About N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide

N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 59542790) has the molecular formula C20H27FN4OS and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID59542790
Molecular FormulaC20H27FN4OS
Molecular Weight390.53 g/mol
Exact Mass390.19
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCN1CCN(c2nc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C20H27FN4OS/c1-20(2,3)18(26)25(17-7-5-15(21)6-8-17)13-16-14-27-19(22-16)24-11-9-23(4)10-12-24/h5-8,14H,9-13H2,1-4H3
InChIKeyNTRYZVLAFJHVET-UHFFFAOYSA-N
XLogP3.61
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 59542747
N-[[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
CID 59542744
N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide
CID 59542726
N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 59542751
N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide
CID 24988580
N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
CID 59542796
4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride
CID 68805884
N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
CID 59542691
N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 25061547
N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 69168470
(4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid
CID 143695870
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62757081

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide (CID 59542790) is N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide is CN1CCN(c2nc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is NTRYZVLAFJHVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4OS/c1-20(2,3)18(26)25(17-7-5-15(21)6-8-17)13-16-14-27-19(22-16)24-11-9-23(4)10-12-24/h5-8,14H,9-13H2,1-4H3.
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide?
N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 390.53 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 59542790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).