N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C16H18FN3O2S — CID 27397465

IUPACN-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc(F)c2)cs1
InChIInChI=1S/C16H18FN3O2S/c1-16(2,3)14(22)20-15-19-12(9-23-15)8-13(21)18-11-6-4-5-10(17)7-11/h4-7,9H,8H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyAVTUODFGLBRKOV-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.45
Rot. Bonds4

About N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 27397465) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID27397465
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC NameN-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc(F)c2)cs1
InChIInChI=1S/C16H18FN3O2S/c1-16(2,3)14(22)20-15-19-12(9-23-15)8-13(21)18-11-6-4-5-10(17)7-11/h4-7,9H,8H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyAVTUODFGLBRKOV-UHFFFAOYSA-N
XLogP3.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567657
N-[3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537701
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881419
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537490
2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 41227867
2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21321154
N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 120568826
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568246
N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160013
3-(2,2-dimethylpropanoylamino)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30542317

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 27397465) is N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc(F)c2)cs1.
What is the InChIKey of N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is AVTUODFGLBRKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-16(2,3)14(22)20-15-19-12(9-23-15)8-13(21)18-11-6-4-5-10(17)7-11/h4-7,9H,8H2,1-3H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 335.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 27397465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).