7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine

C13H17N3S — CID 71871284

IUPAC7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine
SMILESCN1CCCN(c2ccnc3ccsc23)CC1
InChIInChI=1S/C13H17N3S/c1-15-6-2-7-16(9-8-15)12-3-5-14-11-4-10-17-13(11)12/h3-5,10H,2,6-9H2,1H3
InChIKeyKWYDFXJWSPTLKY-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.44
Rot. Bonds1

About 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine

7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine (PubChem CID 71871284) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine
PubChem CID71871284
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine
SMILESCN1CCCN(c2ccnc3ccsc23)CC1
InChIInChI=1S/C13H17N3S/c1-15-6-2-7-16(9-8-15)12-3-5-14-11-4-10-17-13(11)12/h3-5,10H,2,6-9H2,1H3
InChIKeyKWYDFXJWSPTLKY-UHFFFAOYSA-N
XLogP2.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine?
The IUPAC name of 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine (CID 71871284) is 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine.
What is the SMILES notation for 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine?
The canonical SMILES for 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine is CN1CCCN(c2ccnc3ccsc23)CC1.
What is the InChIKey of 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine?
The InChIKey is KWYDFXJWSPTLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-15-6-2-7-16(9-8-15)12-3-5-14-11-4-10-17-13(11)12/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine?
7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine has a molecular weight of 247.37 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine is sourced from PubChem (CID 71871284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).