[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate

C19H16N2O4S — CID 6185293

IUPAC[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(OC(=O)/C=C/c1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2O4S/c1-13(25-17(22)10-9-15-8-5-11-24-15)18(23)21-19-20-16(12-26-19)14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,23)/b10-9+
InChIKeyMSPDANQBWLJFPB-MDZDMXLPSA-N
MW368.41 g/mol
LogP3.99
Rot. Bonds6

About [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 6185293) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID6185293
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(OC(=O)/C=C/c1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2O4S/c1-13(25-17(22)10-9-15-8-5-11-24-15)18(23)21-19-20-16(12-26-19)14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,23)/b10-9+
InChIKeyMSPDANQBWLJFPB-MDZDMXLPSA-N
XLogP3.99
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 7786917
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 42965380
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6151609
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 4123383
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6254540
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 5059460
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-tert-butylbenzoate
CID 4689295
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-tert-butylbenzoate
CID 7891821
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775704
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7228998
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-propan-2-ylbenzoate
CID 16521251

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate (CID 6185293) is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate is CC(OC(=O)/C=C/c1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is MSPDANQBWLJFPB-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-13(25-17(22)10-9-15-8-5-11-24-15)18(23)21-19-20-16(12-26-19)14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,23)/b10-9+.
What are the key properties of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate?
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 368.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 6185293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).