2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C19H16F2N2O2S2 — CID 16850140

IUPAC2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc(CSCc2ccc(F)cc2)cs1
InChIInChI=1S/C19H16F2N2O2S2/c20-14-3-1-13(2-4-14)10-26-11-16-12-27-19(22-16)23-18(24)9-25-17-7-5-15(21)6-8-17/h1-8,12H,9-11H2,(H,22,23,24)
InChIKeyVMJIVYLFMQCEAT-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.87
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide

2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 16850140) has the molecular formula C19H16F2N2O2S2 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID16850140
Molecular FormulaC19H16F2N2O2S2
Molecular Weight406.48 g/mol
Exact Mass406.06
IUPAC Name2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc(CSCc2ccc(F)cc2)cs1
InChIInChI=1S/C19H16F2N2O2S2/c20-14-3-1-13(2-4-14)10-26-11-16-12-27-19(22-16)23-18(24)9-25-17-7-5-15(21)6-8-17/h1-8,12H,9-11H2,(H,22,23,24)
InChIKeyVMJIVYLFMQCEAT-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 16850089
4-butoxy-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 16850091
N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 16850087
2-bromo-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 16850106
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 55441913
2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43092953
4-[5-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid
CID 35271938
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114256
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 16850140) is 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide is O=C(COc1ccc(F)cc1)Nc1nc(CSCc2ccc(F)cc2)cs1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VMJIVYLFMQCEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S2/c20-14-3-1-13(2-4-14)10-26-11-16-12-27-19(22-16)23-18(24)9-25-17-7-5-15(21)6-8-17/h1-8,12H,9-11H2,(H,22,23,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16850140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).