N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide

C19H15ClF4N4O2S — CID 137301886

IUPACN-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(F)c(-c2nc(-c3nc(C(F)(F)F)cs3)cc(=O)[nH]2)c1Cl
InChIInChI=1S/C19H15ClF4N4O2S/c1-8(2)17(30)25-6-9-3-4-10(21)14(15(9)20)16-26-11(5-13(29)28-16)18-27-12(7-31-18)19(22,23)24/h3-5,7-8H,6H2,1-2H3,(H,25,30)(H,26,28,29)
InChIKeyNWRWTTKCUGOAHS-UHFFFAOYSA-N
MW474.87 g/mol
LogP4.64
Rot. Bonds5

About N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide

N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide (PubChem CID 137301886) has the molecular formula C19H15ClF4N4O2S and a molecular weight of 474.87 g/mol. Its IUPAC name is N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
PubChem CID137301886
Molecular FormulaC19H15ClF4N4O2S
Molecular Weight474.87 g/mol
Exact Mass474.05
IUPAC NameN-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(F)c(-c2nc(-c3nc(C(F)(F)F)cs3)cc(=O)[nH]2)c1Cl
InChIInChI=1S/C19H15ClF4N4O2S/c1-8(2)17(30)25-6-9-3-4-10(21)14(15(9)20)16-26-11(5-13(29)28-16)18-27-12(7-31-18)19(22,23)24/h3-5,7-8H,6H2,1-2H3,(H,25,30)(H,26,28,29)
InChIKeyNWRWTTKCUGOAHS-UHFFFAOYSA-N
XLogP4.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.87
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 155883409
CID 155883409
CID 155883453
CID 155883453
CID 155883449
CID 155883449
CID 70747481
CID 70747481
CID 44231079
CID 44231079
CID 44231201
CID 44231201
CID 137301831
CID 137301831
CID 137301843
CID 137301843
CID 137301895
CID 137301895
CID 137301906
CID 137301906
CID 137301955
CID 137301955
CID 140197724
CID 140197724

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide (CID 137301886) is N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(F)c(-c2nc(-c3nc(C(F)(F)F)cs3)cc(=O)[nH]2)c1Cl.
What is the InChIKey of N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
The InChIKey is NWRWTTKCUGOAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF4N4O2S/c1-8(2)17(30)25-6-9-3-4-10(21)14(15(9)20)16-26-11(5-13(29)28-16)18-27-12(7-31-18)19(22,23)24/h3-5,7-8H,6H2,1-2H3,(H,25,30)(H,26,28,29).
What are the key properties of N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide has a molecular weight of 474.87 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-fluoro-3-[6-oxo-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 137301886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).