2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

C20H16FN3O2S — CID 55597894

IUPAC2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C20H16FN3O2S/c1-13(26-18-5-3-2-4-15(18)11-22)19(25)24-20-23-12-17(27-20)10-14-6-8-16(21)9-7-14/h2-9,12-13H,10H2,1H3,(H,23,24,25)
InChIKeyQRAQNMVBYOTDJZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.15
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 55597894) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID55597894
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C20H16FN3O2S/c1-13(26-18-5-3-2-4-15(18)11-22)19(25)24-20-23-12-17(27-20)10-14-6-8-16(21)9-7-14/h2-9,12-13H,10H2,1H3,(H,23,24,25)
InChIKeyQRAQNMVBYOTDJZ-UHFFFAOYSA-N
XLogP4.15
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide
CID 167942186
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)propanamide
CID 46693319
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyanilino)acetamide
CID 4915065
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 51583917
2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716433
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
2-ethoxy-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 78874341
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836241

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 55597894) is 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is CC(Oc1ccccc1C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is QRAQNMVBYOTDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-13(26-18-5-3-2-4-15(18)11-22)19(25)24-20-23-12-17(27-20)10-14-6-8-16(21)9-7-14/h2-9,12-13H,10H2,1H3,(H,23,24,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 381.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55597894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).