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

C22H21FN2O2S — CID 126204500

IUPACN-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2S/c1-2-6-19-21(16-9-11-17(23)12-10-16)25-22(28-19)24-20(27)14-13-18(26)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,24,25,27)
InChIKeyBKASSPVAGLWBIS-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.50
Rot. Bonds8

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

N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide (PubChem CID 126204500) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
PubChem CID126204500
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC NameN-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2S/c1-2-6-19-21(16-9-11-17(23)12-10-16)25-22(28-19)24-20(27)14-13-18(26)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,24,25,27)
InChIKeyBKASSPVAGLWBIS-UHFFFAOYSA-N
XLogP5.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
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
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 1347127
3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
CID 44994114
N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 126210889
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
2-(butanoylamino)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 94970416
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1136032
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide (CID 126204500) is N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide is CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide?
The InChIKey is BKASSPVAGLWBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c1-2-6-19-21(16-9-11-17(23)12-10-16)25-22(28-19)24-20(27)14-13-18(26)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide?
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide has a molecular weight of 396.49 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 126204500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).