N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C20H20FN3O3S — CID 55542035

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C20H20FN3O3S/c1-2-24(12-18(25)22-11-14-5-7-15(21)8-6-14)19(26)10-16-13-28-20(23-16)17-4-3-9-27-17/h3-9,13H,2,10-12H2,1H3,(H,22,25)
InChIKeySTCZCWAFFDKOFF-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.25
Rot. Bonds8

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55542035) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55542035
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C20H20FN3O3S/c1-2-24(12-18(25)22-11-14-5-7-15(21)8-6-14)19(26)10-16-13-28-20(23-16)17-4-3-9-27-17/h3-9,13H,2,10-12H2,1H3,(H,22,25)
InChIKeySTCZCWAFFDKOFF-UHFFFAOYSA-N
XLogP3.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 61007308
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 46554976
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43049878
2-(4-fluorophenyl)-1-[4-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]ethanone
CID 46441757
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755794
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 55542035) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1csc(-c2ccco2)n1.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is STCZCWAFFDKOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-2-24(12-18(25)22-11-14-5-7-15(21)8-6-14)19(26)10-16-13-28-20(23-16)17-4-3-9-27-17/h3-9,13H,2,10-12H2,1H3,(H,22,25).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55542035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).