(E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide

C19H15N3O2S — CID 18450678

IUPAC(E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccc4occc4c3)csc12
InChIInChI=1S/C19H15N3O2S/c1-21-16(23)5-3-13-9-22-19(20)17-14(10-25-18(13)17)11-2-4-15-12(8-11)6-7-24-15/h2-10H,1H3,(H2,20,22)(H,21,23)/b5-3+
InChIKeyDTKJGNXCUMVRMZ-HWKANZROSA-N
MW349.42 g/mol
LogP4.05
Rot. Bonds3

About (E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide

(E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (PubChem CID 18450678) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is (E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
PubChem CID18450678
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name(E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccc4occc4c3)csc12
InChIInChI=1S/C19H15N3O2S/c1-21-16(23)5-3-13-9-22-19(20)17-14(10-25-18(13)17)11-2-4-15-12(8-11)6-7-24-15/h2-10H,1H3,(H2,20,22)(H,21,23)/b5-3+
InChIKeyDTKJGNXCUMVRMZ-HWKANZROSA-N
XLogP4.05
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
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-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (CID 18450678) is (E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1cnc(N)c2c(-c3ccc4occc4c3)csc12.
What is the InChIKey of (E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The InChIKey is DTKJGNXCUMVRMZ-HWKANZROSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-21-16(23)5-3-13-9-22-19(20)17-14(10-25-18(13)17)11-2-4-15-12(8-11)6-7-24-15/h2-10H,1H3,(H2,20,22)(H,21,23)/b5-3+.
What are the key properties of (E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
(E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide has a molecular weight of 349.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-amino-3-(1-benzofuran-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 18450678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).