N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C15H16ClFN2O2S — CID 9467651

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O2S/c1-10-9-22-15(21)19(10)7-6-14(20)18(2)8-11-12(16)4-3-5-13(11)17/h3-5,9H,6-8H2,1-2H3
InChIKeyGMZBEWJFLCFAAF-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.06
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 9467651) has the molecular formula C15H16ClFN2O2S and a molecular weight of 342.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID9467651
Molecular FormulaC15H16ClFN2O2S
Molecular Weight342.82 g/mol
Exact Mass342.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O2S/c1-10-9-22-15(21)19(10)7-6-14(20)18(2)8-11-12(16)4-3-5-13(11)17/h3-5,9H,6-8H2,1-2H3
InChIKeyGMZBEWJFLCFAAF-UHFFFAOYSA-N
XLogP3.06
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 9268623
2-(2-Chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one
CID 44583097
2-(2-Chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one
CID 44583100
2-(2-Chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one
CID 44583143
2-(2-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 172444645
2-(2-Chloro-4-fluorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 172463502
3-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide
CID 24711895
3-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylpropanamide
CID 24712211
3-(2-Chloro-4-fluorobenzyl)-1,3-thiazolidine-2,4-dione
CID 3155224
3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 78603108
N-butyl-3-[(3-chloro-4-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 132467252
2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 70835907

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 9467651) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is GMZBEWJFLCFAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2S/c1-10-9-22-15(21)19(10)7-6-14(20)18(2)8-11-12(16)4-3-5-13(11)17/h3-5,9H,6-8H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 342.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 9467651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).