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

C16H19FN2O2S — CID 71980223

IUPAC2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)N(C)Cc1nc(C)cs1
InChIInChI=1S/C16H19FN2O2S/c1-4-13(21-14-8-6-5-7-12(14)17)16(20)19(3)9-15-18-11(2)10-22-15/h5-8,10,13H,4,9H2,1-3H3
InChIKeyCAOGMWUTTGMPBI-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.41
Rot. Bonds6

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

2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 71980223) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID71980223
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)N(C)Cc1nc(C)cs1
InChIInChI=1S/C16H19FN2O2S/c1-4-13(21-14-8-6-5-7-12(14)17)16(20)19(3)9-15-18-11(2)10-22-15/h5-8,10,13H,4,9H2,1-3H3
InChIKeyCAOGMWUTTGMPBI-UHFFFAOYSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132657703
N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide
CID 119661444
N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 46770642
(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 35340568
3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86783345
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 155976896
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
2-(2-fluorophenoxy)-4-methyl-1,3-thiazole
CID 117189207
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86786064
[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid
CID 68925488

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide (CID 71980223) is 2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide is CCC(Oc1ccccc1F)C(=O)N(C)Cc1nc(C)cs1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is CAOGMWUTTGMPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-4-13(21-14-8-6-5-7-12(14)17)16(20)19(3)9-15-18-11(2)10-22-15/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide?
2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 322.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 71980223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).