N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

C19H16F2N2O2S — CID 89406463

IUPACN-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)s1
InChIInChI=1S/C19H16F2N2O2S/c1-11(2)17(24)23-19-22-16(12-3-5-13(20)6-4-12)18(26-19)25-15-9-7-14(21)8-10-15/h3-11H,1-2H3,(H,22,23,24)
InChIKeyAQKXEPQSFNLRAO-UHFFFAOYSA-N
MW374.41 g/mol
LogP5.48
Rot. Bonds5

About N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 89406463) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID89406463
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC NameN-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)s1
InChIInChI=1S/C19H16F2N2O2S/c1-11(2)17(24)23-19-22-16(12-3-5-13(20)6-4-12)18(26-19)25-15-9-7-14(21)8-10-15/h3-11H,1-2H3,(H,22,23,24)
InChIKeyAQKXEPQSFNLRAO-UHFFFAOYSA-N
XLogP5.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 123310159
N-[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 147109705
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325
N-[5-(4-tert-butylphenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 137463424
N-[4-(4-fluorophenyl)-5-[4-(2-methylbutan-2-yl)phenoxy]-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 137463669
2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid
CID 97035884
2-[acetyl(pyrrolidin-2-yl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 87370474
N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 89109739
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119681461
4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 56549045
N-[4-(4-butylphenyl)-5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 137463655

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (CID 89406463) is N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)s1.
What is the InChIKey of N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is AQKXEPQSFNLRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-11(2)17(24)23-19-22-16(12-3-5-13(20)6-4-12)18(26-19)25-15-9-7-14(21)8-10-15/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 374.41 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 89406463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).