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

C18H14F3N3OS — CID 18450633

IUPAC(E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccc(C(F)(F)F)cc3)csc12
InChIInChI=1S/C18H14F3N3OS/c1-23-14(25)7-4-11-8-24-17(22)15-13(9-26-16(11)15)10-2-5-12(6-3-10)18(19,20)21/h2-9H,1H3,(H2,22,24)(H,23,25)/b7-4+
InChIKeyVRIQSOFVZOPXLS-QPJJXVBHSA-N
MW377.39 g/mol
LogP4.32
Rot. Bonds3

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

(E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (PubChem CID 18450633) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is (E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
PubChem CID18450633
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name(E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3ccc(C(F)(F)F)cc3)csc12
InChIInChI=1S/C18H14F3N3OS/c1-23-14(25)7-4-11-8-24-17(22)15-13(9-26-16(11)15)10-2-5-12(6-3-10)18(19,20)21/h2-9H,1H3,(H2,22,24)(H,23,25)/b7-4+
InChIKeyVRIQSOFVZOPXLS-QPJJXVBHSA-N
XLogP4.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.32
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-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (CID 18450633) is (E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1cnc(N)c2c(-c3ccc(C(F)(F)F)cc3)csc12.
What is the InChIKey of (E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The InChIKey is VRIQSOFVZOPXLS-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-23-14(25)7-4-11-8-24-17(22)15-13(9-26-16(11)15)10-2-5-12(6-3-10)18(19,20)21/h2-9H,1H3,(H2,22,24)(H,23,25)/b7-4+.
What are the key properties of (E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
(E)-3-[4-amino-3-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide has a molecular weight of 377.39 g/mol, XLogP of 4.32, 3 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-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 18450633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).