N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide

C23H23FN2O3S — CID 126206369

IUPACN-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(OC)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O3S/c1-3-4-20-22(16-5-9-17(24)10-6-16)26-23(30-20)25-21(28)14-13-19(27)15-7-11-18(29-2)12-8-15/h5-12H,3-4,13-14H2,1-2H3,(H,25,26,28)
InChIKeyQPQIZHPHXUSUTP-UHFFFAOYSA-N
MW426.51 g/mol
LogP5.51
Rot. Bonds9

About N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide

N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 126206369) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID126206369
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(OC)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O3S/c1-3-4-20-22(16-5-9-17(24)10-6-16)26-23(30-20)25-21(28)14-13-19(27)15-7-11-18(29-2)12-8-15/h5-12H,3-4,13-14H2,1-2H3,(H,25,26,28)
InChIKeyQPQIZHPHXUSUTP-UHFFFAOYSA-N
XLogP5.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126200117
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 126204500
4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126199401
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 11840384
N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126210588
3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
CID 156586306
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210220
methyl 4-[[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111719
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126204764
N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 126210889
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1136032
N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 46972103

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide (CID 126206369) is N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide is CCCc1sc(NC(=O)CCC(=O)c2ccc(OC)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is QPQIZHPHXUSUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-3-4-20-22(16-5-9-17(24)10-6-16)26-23(30-20)25-21(28)14-13-19(27)15-7-11-18(29-2)12-8-15/h5-12H,3-4,13-14H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 426.51 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 126206369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).