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

C18H16N2O2S — CID 17164912

IUPAC(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C18H16N2O2S/c1-13-7-8-16(22-13)9-10-17(21)19-11-15-12-23-18(20-15)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)/b10-9+
InChIKeyQDJMBGLCSUFLDQ-MDZDMXLPSA-N
MW324.41 g/mol
LogP4.04
Rot. Bonds5

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

(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide (PubChem CID 17164912) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
PubChem CID17164912
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C18H16N2O2S/c1-13-7-8-16(22-13)9-10-17(21)19-11-15-12-23-18(20-15)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)/b10-9+
InChIKeyQDJMBGLCSUFLDQ-MDZDMXLPSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 24632155
(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 78840707
N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864
(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2468061
3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 4606451
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24675874
3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
CID 71962615
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
3-(5-methylfuran-2-yl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]prop-2-enamide
CID 91942509
(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47162880

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide (CID 17164912) is (E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2csc(-c3ccccc3)n2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The InChIKey is QDJMBGLCSUFLDQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-13-7-8-16(22-13)9-10-17(21)19-11-15-12-23-18(20-15)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)/b10-9+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide has a molecular weight of 324.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 17164912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).