N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide

C16H19FN2OS — CID 86902839

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1nc(C(C)(C)C)cs1)c1ccccc1F
InChIInChI=1S/C16H19FN2OS/c1-10(11-7-5-6-8-12(11)17)14(20)19-15-18-13(9-21-15)16(2,3)4/h5-10H,1-4H3,(H,18,19,20)
InChIKeyNGZGZDIOBUODJN-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.32
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide (PubChem CID 86902839) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide
PubChem CID86902839
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1nc(C(C)(C)C)cs1)c1ccccc1F
InChIInChI=1S/C16H19FN2OS/c1-10(11-7-5-6-8-12(11)17)14(20)19-15-18-13(9-21-15)16(2,3)4/h5-10H,1-4H3,(H,18,19,20)
InChIKeyNGZGZDIOBUODJN-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 78780585
2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 86902852
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 59232831
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258
3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 114145061
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62237194
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 155976896
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide (CID 86902839) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide is CC(C(=O)Nc1nc(C(C)(C)C)cs1)c1ccccc1F.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide?
The InChIKey is NGZGZDIOBUODJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-10(11-7-5-6-8-12(11)17)14(20)19-15-18-13(9-21-15)16(2,3)4/h5-10H,1-4H3,(H,18,19,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide is sourced from PubChem (CID 86902839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).