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

C18H23FN2OS — CID 110313528

IUPAC3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide
SMILESCC(C)CC(NC(=O)CC(C)c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C18H23FN2OS/c1-12(2)10-16(18-20-8-9-23-18)21-17(22)11-13(3)14-4-6-15(19)7-5-14/h4-9,12-13,16H,10-11H2,1-3H3,(H,21,22)
InChIKeyWCVZBVOMBRSFHW-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.68
Rot. Bonds7

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

3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide (PubChem CID 110313528) has the molecular formula C18H23FN2OS and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide
PubChem CID110313528
Molecular FormulaC18H23FN2OS
Molecular Weight334.46 g/mol
Exact Mass334.15
IUPAC Name3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide
SMILESCC(C)CC(NC(=O)CC(C)c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C18H23FN2OS/c1-12(2)10-16(18-20-8-9-23-18)21-17(22)11-13(3)14-4-6-15(19)7-5-14/h4-9,12-13,16H,10-11H2,1-3H3,(H,21,22)
InChIKeyWCVZBVOMBRSFHW-UHFFFAOYSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
CID 94802137
4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide
CID 110628616
7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110628549
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide
CID 110628623
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
CID 110628550
3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119954007
2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
CID 141016993
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide
CID 110355632
N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110628574

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide (CID 110313528) is 3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide is CC(C)CC(NC(=O)CC(C)c1ccc(F)cc1)c1nccs1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide?
The InChIKey is WCVZBVOMBRSFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2OS/c1-12(2)10-16(18-20-8-9-23-18)21-17(22)11-13(3)14-4-6-15(19)7-5-14/h4-9,12-13,16H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide?
3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide has a molecular weight of 334.46 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide is sourced from PubChem (CID 110313528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).