(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide

C15H14N2O2S — CID 24586169

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
SMILESCn1ccs/c1=N\C(=O)/C=C/c1ccc2c(c1)CCO2
InChIInChI=1S/C15H14N2O2S/c1-17-7-9-20-15(17)16-14(18)5-3-11-2-4-13-12(10-11)6-8-19-13/h2-5,7,9-10H,6,8H2,1H3/b5-3+,16-15-
InChIKeyPDHALPPJWCPUHJ-IXNYPNKCSA-N
MW286.36 g/mol
LogP2.16
Rot. Bonds2

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide (PubChem CID 24586169) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
PubChem CID24586169
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
SMILESCn1ccs/c1=N\C(=O)/C=C/c1ccc2c(c1)CCO2
InChIInChI=1S/C15H14N2O2S/c1-17-7-9-20-15(17)16-14(18)5-3-11-2-4-13-12(10-11)6-8-19-13/h2-5,7,9-10H,6,8H2,1H3/b5-3+,16-15-
InChIKeyPDHALPPJWCPUHJ-IXNYPNKCSA-N
XLogP2.16
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 51298671
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500712
propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 112725026
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 156783239
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)prop-2-en-1-one
CID 77104298
3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]-3-methylbutanoic acid
CID 77058343
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870213
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide (CID 24586169) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide is Cn1ccs/c1=N\C(=O)/C=C/c1ccc2c(c1)CCO2.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The InChIKey is PDHALPPJWCPUHJ-IXNYPNKCSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-17-7-9-20-15(17)16-14(18)5-3-11-2-4-13-12(10-11)6-8-19-13/h2-5,7,9-10H,6,8H2,1H3/b5-3+,16-15-.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide has a molecular weight of 286.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide is sourced from PubChem (CID 24586169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).