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

C24H25FN2O2S — CID 126210588

IUPACN-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1cc(C)ccc1C
InChIInChI=1S/C24H25FN2O2S/c1-4-5-21-23(19-14-15(2)6-7-16(19)3)27-24(30-21)26-22(29)13-12-20(28)17-8-10-18(25)11-9-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,27,29)
InChIKeyGBPJTOFYWYCJDA-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.12
Rot. Bonds8

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

N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 126210588) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID126210588
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC NameN-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1cc(C)ccc1C
InChIInChI=1S/C24H25FN2O2S/c1-4-5-21-23(19-14-15(2)6-7-16(19)3)27-24(30-21)26-22(29)13-12-20(28)17-8-10-18(25)11-9-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,27,29)
InChIKeyGBPJTOFYWYCJDA-UHFFFAOYSA-N
XLogP6.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide with MolForge

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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
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 11840384
N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 126210889
4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126199401
3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183433
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
2-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177638

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 126210588) is N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide is CCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1cc(C)ccc1C.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is GBPJTOFYWYCJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-4-5-21-23(19-14-15(2)6-7-16(19)3)27-24(30-21)26-22(29)13-12-20(28)17-8-10-18(25)11-9-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,27,29).
What are the key properties of N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 424.54 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 126210588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).