4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine

C17H18FN3OS — CID 135704102

IUPAC4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine
SMILESCCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCOCC1
InChIInChI=1S/C17H18FN3OS/c1-2-12-10-13-16(21-5-7-22-8-6-21)19-15-9-11(18)3-4-14(15)20-17(13)23-12/h3-4,9-10,20H,2,5-8H2,1H3
InChIKeyFIGPEMGECRRCGO-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.92
Rot. Bonds1

About 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine

4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine (PubChem CID 135704102) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine
PubChem CID135704102
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine
SMILESCCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCOCC1
InChIInChI=1S/C17H18FN3OS/c1-2-12-10-13-16(21-5-7-22-8-6-21)19-15-9-11(18)3-4-14(15)20-17(13)23-12/h3-4,9-10,20H,2,5-8H2,1H3
InChIKeyFIGPEMGECRRCGO-UHFFFAOYSA-N
XLogP3.92
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine?
The IUPAC name of 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine (CID 135704102) is 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine.
What is the SMILES notation for 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine?
The canonical SMILES for 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine is CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCOCC1.
What is the InChIKey of 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine?
The InChIKey is FIGPEMGECRRCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-2-12-10-13-16(21-5-7-22-8-6-21)19-15-9-11(18)3-4-14(15)20-17(13)23-12/h3-4,9-10,20H,2,5-8H2,1H3.
What are the key properties of 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine?
4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine has a molecular weight of 331.42 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine is sourced from PubChem (CID 135704102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).