2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide

C20H17F2N3O2S — CID 55791423

IUPAC2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C20H17F2N3O2S/c21-15-6-4-13(5-7-15)9-17-11-24-20(28-17)25-19(27)12-23-18(26)10-14-2-1-3-16(22)8-14/h1-8,11H,9-10,12H2,(H,23,26)(H,24,25,27)
InChIKeyIUHWIVADIAPANO-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.31
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide

2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide (PubChem CID 55791423) has the molecular formula C20H17F2N3O2S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
PubChem CID55791423
Molecular FormulaC20H17F2N3O2S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C20H17F2N3O2S/c21-15-6-4-13(5-7-15)9-17-11-24-20(28-17)25-19(27)12-23-18(26)10-14-2-1-3-16(22)8-14/h1-8,11H,9-10,12H2,(H,23,26)(H,24,25,27)
InChIKeyIUHWIVADIAPANO-UHFFFAOYSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
CID 119719234
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyanilino)acetamide
CID 4915065
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 57414113
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015330
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39220859
2-(3-fluorophenyl)-N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]acetamide
CID 55789223
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7454406
2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide
CID 55830322
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167327072
3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 37266027

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide (CID 55791423) is 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide is O=C(Cc1cccc(F)c1)NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide?
The InChIKey is IUHWIVADIAPANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2S/c21-15-6-4-13(5-7-15)9-17-11-24-20(28-17)25-19(27)12-23-18(26)10-14-2-1-3-16(22)8-14/h1-8,11H,9-10,12H2,(H,23,26)(H,24,25,27).
What are the key properties of 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide?
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 55791423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).