N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide

C20H27FN4OS — CID 59542726

IUPACN-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide
SMILESCN1CCN(c2ncc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C20H27FN4OS/c1-20(2,3)18(26)25(16-7-5-15(21)6-8-16)14-17-13-22-19(27-17)24-11-9-23(4)10-12-24/h5-8,13H,9-12,14H2,1-4H3
InChIKeySVGCOYCEJFARSV-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-5-yl]methyl]propanamide

N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide (PubChem CID 59542726) 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-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide
PubChem CID59542726
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-5-yl]methyl]propanamide
SMILESCN1CCN(c2ncc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C20H27FN4OS/c1-20(2,3)18(26)25(16-7-5-15(21)6-8-16)14-17-13-22-19(27-17)24-11-9-23(4)10-12-24/h5-8,13H,9-12,14H2,1-4H3
InChIKeySVGCOYCEJFARSV-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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide (CID 59542726) is N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide is CN1CCN(c2ncc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)s2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide?
The InChIKey is SVGCOYCEJFARSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4OS/c1-20(2,3)18(26)25(16-7-5-15(21)6-8-16)14-17-13-22-19(27-17)24-11-9-23(4)10-12-24/h5-8,13H,9-12,14H2,1-4H3.
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide?
N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-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-5-yl]methyl]propanamide is sourced from PubChem (CID 59542726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).