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

C16H19FN2OS — CID 110353144

IUPAC2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1csc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2OS/c1-3-15(12-4-6-13(17)7-5-12)16(20)18-9-8-14-10-21-11(2)19-14/h4-7,10,15H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyZIEHPKNNOPVINH-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.44
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 110353144) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID110353144
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1csc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2OS/c1-3-15(12-4-6-13(17)7-5-12)16(20)18-9-8-14-10-21-11(2)19-14/h4-7,10,15H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyZIEHPKNNOPVINH-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94181927
1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol
CID 106045212
(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 35340568
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527
N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide
CID 49255186
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)butanamide
CID 110355301
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
N-[2-fluoro-1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 166250206
2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110312773
2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 45148684
4-fluoro-N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4-oxobutyl]benzamide
CID 47070792

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide (CID 110353144) is 2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide is CCC(C(=O)NCCc1csc(C)n1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is ZIEHPKNNOPVINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-3-15(12-4-6-13(17)7-5-12)16(20)18-9-8-14-10-21-11(2)19-14/h4-7,10,15H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 110353144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).