N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide

C20H18FN3O3S — CID 41228611

IUPACN-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESCCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O3S/c1-2-27-17-6-4-3-5-16(17)23-18(25)11-15-12-28-20(22-15)24-19(26)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyPMCBXMFCSINVJA-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.11
Rot. Bonds7

About N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide

N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide (PubChem CID 41228611) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
PubChem CID41228611
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESCCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O3S/c1-2-27-17-6-4-3-5-16(17)23-18(25)11-15-12-28-20(22-15)24-19(26)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyPMCBXMFCSINVJA-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841919
N-[4-[3-(2-ethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 42208585
methyl N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883790
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228676
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
N-[4-[2-(2-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568011
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41228732
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55807846

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide (CID 41228611) is N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide is CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The InChIKey is PMCBXMFCSINVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-2-27-17-6-4-3-5-16(17)23-18(25)11-15-12-28-20(22-15)24-19(26)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide has a molecular weight of 399.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 41228611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).