[2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate

C19H16FN3O3S — CID 7953436

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESO=C(COC(=O)c1csc(NCc2ccccc2)n1)Nc1cccc(F)c1
InChIInChI=1S/C19H16FN3O3S/c20-14-7-4-8-15(9-14)22-17(24)11-26-18(25)16-12-27-19(23-16)21-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,23)(H,22,24)
InChIKeyOXNVPGDCQOCQGK-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.69
Rot. Bonds7

About [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate

[2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate (PubChem CID 7953436) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
PubChem CID7953436
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESO=C(COC(=O)c1csc(NCc2ccccc2)n1)Nc1cccc(F)c1
InChIInChI=1S/C19H16FN3O3S/c20-14-7-4-8-15(9-14)22-17(24)11-26-18(25)16-12-27-19(23-16)21-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,23)(H,22,24)
InChIKeyOXNVPGDCQOCQGK-UHFFFAOYSA-N
XLogP3.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957347
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 8857428
[2-(4-methylanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957336
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 30255018
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 46697258
(3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 55321379
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 16519309
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 16519426
(2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957322
[2-(3-fluoroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515125
methyl 2-(3-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423227
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957251

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate (CID 7953436) is [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate is O=C(COC(=O)c1csc(NCc2ccccc2)n1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is OXNVPGDCQOCQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-14-7-4-8-15(9-14)22-17(24)11-26-18(25)16-12-27-19(23-16)21-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,23)(H,22,24).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7953436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).