(E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

C18H16N2O3S — CID 2180009

IUPAC(E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-14-6-4-13(5-7-14)11-16-12-19-18(24-16)20-17(21)9-8-15-3-2-10-23-15/h2-10,12H,11H2,1H3,(H,19,20,21)/b9-8+
InChIKeyIPQXSTHOVUCKLA-CMDGGOBGSA-N
MW340.40 g/mol
LogP3.99
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 2180009) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID2180009
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-14-6-4-13(5-7-14)11-16-12-19-18(24-16)20-17(21)9-8-15-3-2-10-23-15/h2-10,12H,11H2,1H3,(H,19,20,21)/b9-8+
InChIKeyIPQXSTHOVUCKLA-CMDGGOBGSA-N
XLogP3.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (CID 2180009) is (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is COc1ccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is IPQXSTHOVUCKLA-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-14-6-4-13(5-7-14)11-16-12-19-18(24-16)20-17(21)9-8-15-3-2-10-23-15/h2-10,12H,11H2,1H3,(H,19,20,21)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 340.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 2180009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).