4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide

C18H21FN2O2S — CID 110628616

IUPAC4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide
SMILESCC(C)CC(NC(=O)CCC(=O)c1ccccc1F)c1nccs1
InChIInChI=1S/C18H21FN2O2S/c1-12(2)11-15(18-20-9-10-24-18)21-17(23)8-7-16(22)13-5-3-4-6-14(13)19/h3-6,9-10,12,15H,7-8,11H2,1-2H3,(H,21,23)
InChIKeySTTLVBNKMULREH-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.15
Rot. Bonds8

About 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide

4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide (PubChem CID 110628616) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide
PubChem CID110628616
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide
SMILESCC(C)CC(NC(=O)CCC(=O)c1ccccc1F)c1nccs1
InChIInChI=1S/C18H21FN2O2S/c1-12(2)11-15(18-20-9-10-24-18)21-17(23)8-7-16(22)13-5-3-4-6-14(13)19/h3-6,9-10,12,15H,7-8,11H2,1-2H3,(H,21,23)
InChIKeySTTLVBNKMULREH-UHFFFAOYSA-N
XLogP4.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide
CID 110313528
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428973
4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide
CID 110628679
1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide
CID 110628623
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
CID 110628550
N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110628574
2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
CID 141016993
7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110628549
1-benzyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxopyrrolidine-2-carboxamide
CID 110628575
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide (CID 110628616) is 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide is CC(C)CC(NC(=O)CCC(=O)c1ccccc1F)c1nccs1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide?
The InChIKey is STTLVBNKMULREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-12(2)11-15(18-20-9-10-24-18)21-17(23)8-7-16(22)13-5-3-4-6-14(13)19/h3-6,9-10,12,15H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide?
4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide has a molecular weight of 348.44 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide is sourced from PubChem (CID 110628616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).