N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide

C17H21FN2O2S — CID 46948010

IUPACN-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1sc(=O)n(Cc2ccccc2F)c1C
InChIInChI=1S/C17H21FN2O2S/c1-4-5-10-19(3)16(21)15-12(2)20(17(22)23-15)11-13-8-6-7-9-14(13)18/h6-9H,4-5,10-11H2,1-3H3
InChIKeyLTXZIIZIAJFEGT-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.28
Rot. Bonds6

About N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide

N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46948010) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46948010
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC NameN-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1sc(=O)n(Cc2ccccc2F)c1C
InChIInChI=1S/C17H21FN2O2S/c1-4-5-10-19(3)16(21)15-12(2)20(17(22)23-15)11-13-8-6-7-9-14(13)18/h6-9H,4-5,10-11H2,1-3H3
InChIKeyLTXZIIZIAJFEGT-UHFFFAOYSA-N
XLogP3.28
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(5E)-3-benzyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1734111
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 25185442
3-benzyl-5-(1-methyl-2(1H)-pyridinylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1734112
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46944184
3-[(2-cyanophenyl)methyl]-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49786907
3-[3-(Dimethylamino)propyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860519
1-benzyl-3,4-dimethyl-5-(propylsulfanyl)-1,5-dihydro-2H-pyrrol-2-one
CID 23724175
(5Z)-5-[(4-fluorophenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 2187359
4-methyl-3-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide
CID 49790442
1-Allyl-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 1476676
4-(Methylsulfanyl)-2-oxo-6-phenyl-1-propyl-1,2-dihydro-3-pyridinecarbonitrile
CID 1476677

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide (CID 46948010) is N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide is CCCCN(C)C(=O)c1sc(=O)n(Cc2ccccc2F)c1C.
What is the InChIKey of N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is LTXZIIZIAJFEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-4-5-10-19(3)16(21)15-12(2)20(17(22)23-15)11-13-8-6-7-9-14(13)18/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide?
N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46948010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).