[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate

C21H19FN2O3S — CID 18230833

IUPAC[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H19FN2O3S/c1-2-20(26)27-13-19(25)24(12-15-6-4-3-5-7-15)21-23-18(14-28-21)16-8-10-17(22)11-9-16/h3-11,14H,2,12-13H2,1H3
InChIKeyBAANEFNOZQBRKE-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.44
Rot. Bonds7

About [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate

[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate (PubChem CID 18230833) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate
PubChem CID18230833
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H19FN2O3S/c1-2-20(26)27-13-19(25)24(12-15-6-4-3-5-7-15)21-23-18(14-28-21)16-8-10-17(22)11-9-16/h3-11,14H,2,12-13H2,1H3
InChIKeyBAANEFNOZQBRKE-UHFFFAOYSA-N
XLogP4.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 16619561
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 25316258
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 112819061
N-benzyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-ethoxypropanamide
CID 56500554
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 39991108
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
[2-[benzyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 98419712
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3189661
N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1175892
[2-[benzyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2463752
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate?
The IUPAC name of [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate (CID 18230833) is [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate?
The InChIKey is BAANEFNOZQBRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-2-20(26)27-13-19(25)24(12-15-6-4-3-5-7-15)21-23-18(14-28-21)16-8-10-17(22)11-9-16/h3-11,14H,2,12-13H2,1H3.
What are the key properties of [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate?
[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate has a molecular weight of 398.46 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate is sourced from PubChem (CID 18230833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).