[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

C19H20N2O4S — CID 7743896

IUPAC[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
SMILESCCC[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H20N2O4S/c1-3-6-12(2)20-17(22)11-24-19(23)15-10-9-14(25-15)18-21-13-7-4-5-8-16(13)26-18/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyUSSWBYUKBAAOPD-GFCCVEGCSA-N
MW372.45 g/mol
LogP4.02
Rot. Bonds7

About [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate (PubChem CID 7743896) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
PubChem CID7743896
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
SMILESCCC[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H20N2O4S/c1-3-6-12(2)20-17(22)11-24-19(23)15-10-9-14(25-15)18-21-13-7-4-5-8-16(13)26-18/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyUSSWBYUKBAAOPD-GFCCVEGCSA-N
XLogP4.02
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate with MolForge

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Related Compounds

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743934
[2-(3-methylanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743974
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743912
methyl 3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-methylamino]-2-methylpropanoate
CID 87017906
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide
CID 112794144
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3882869
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2109220
5-(1,3-benzothiazol-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 55709407

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate (CID 7743896) is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate is CCC[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate?
The InChIKey is USSWBYUKBAAOPD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-6-12(2)20-17(22)11-24-19(23)15-10-9-14(25-15)18-21-13-7-4-5-8-16(13)26-18/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate?
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate is sourced from PubChem (CID 7743896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).