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

C19H15N3OS2 — CID 18450679

IUPAC(E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccc4sccc4c3)csc12
InChIInChI=1S/C19H15N3OS2/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+
InChIKeyQPTQVQXCYMCKMG-HWKANZROSA-N
MW365.48 g/mol
LogP4.52
Rot. Bonds3

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

(E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (PubChem CID 18450679) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
PubChem CID18450679
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name(E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccc4sccc4c3)csc12
InChIInChI=1S/C19H15N3OS2/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+
InChIKeyQPTQVQXCYMCKMG-HWKANZROSA-N
XLogP4.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.52
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-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (CID 18450679) is (E)-3-[4-amino-3-(1-benzothiophen-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-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1cnc(N)c2c(-c3ccc4sccc4c3)csc12.
What is the InChIKey of (E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The InChIKey is QPTQVQXCYMCKMG-HWKANZROSA-N. The full InChI is InChI=1S/C19H15N3OS2/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-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
(E)-3-[4-amino-3-(1-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide has a molecular weight of 365.48 g/mol, XLogP of 4.52, 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-benzothiophen-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 18450679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).