(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide

C11H10BrN3OS — CID 18450640

IUPAC(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(Br)csc12
InChIInChI=1S/C11H10BrN3OS/c1-14-8(16)3-2-6-4-15-11(13)9-7(12)5-17-10(6)9/h2-5H,1H3,(H2,13,15)(H,14,16)/b3-2+
InChIKeyXJJPADGISFKZPN-NSCUHMNNSA-N
MW312.19 g/mol
LogP2.40
Rot. Bonds2

About (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide

(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide (PubChem CID 18450640) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
PubChem CID18450640
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(Br)csc12
InChIInChI=1S/C11H10BrN3OS/c1-14-8(16)3-2-6-4-15-11(13)9-7(12)5-17-10(6)9/h2-5H,1H3,(H2,13,15)(H,14,16)/b3-2+
InChIKeyXJJPADGISFKZPN-NSCUHMNNSA-N
XLogP2.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide (CID 18450640) is (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1cnc(N)c2c(Br)csc12.
What is the InChIKey of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide?
The InChIKey is XJJPADGISFKZPN-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-14-8(16)3-2-6-4-15-11(13)9-7(12)5-17-10(6)9/h2-5H,1H3,(H2,13,15)(H,14,16)/b3-2+.
What are the key properties of (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide?
(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide has a molecular weight of 312.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 18450640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).