2H-thieno[2,3-b][1,4]diazepine

C7H6N2S — CID 152621255

IUPAC2H-thieno[2,3-b][1,4]diazepine
SMILESC1=CN=C2SCC=C2N=C1
InChIInChI=1S/C7H6N2S/c1-3-8-6-2-5-10-7(6)9-4-1/h1-4H,5H2
InChIKeyZBOKHEAWSRUPBM-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.61
Rot. Bonds

About 2H-thieno[2,3-b][1,4]diazepine

2H-thieno[2,3-b][1,4]diazepine (PubChem CID 152621255) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 2H-thieno[2,3-b][1,4]diazepine.

Molecular Properties

Compound Name2H-thieno[2,3-b][1,4]diazepine
PubChem CID152621255
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name2H-thieno[2,3-b][1,4]diazepine
SMILESC1=CN=C2SCC=C2N=C1
InChIInChI=1S/C7H6N2S/c1-3-8-6-2-5-10-7(6)9-4-1/h1-4H,5H2
InChIKeyZBOKHEAWSRUPBM-UHFFFAOYSA-N
XLogP1.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 67027098
CID 67027098
CID 67706239
CID 67706239
CID 69955335
CID 69955335

Frequently Asked Questions

What is the IUPAC name of 2H-thieno[2,3-b][1,4]diazepine?
The IUPAC name of 2H-thieno[2,3-b][1,4]diazepine (CID 152621255) is 2H-thieno[2,3-b][1,4]diazepine.
What is the SMILES notation for 2H-thieno[2,3-b][1,4]diazepine?
The canonical SMILES for 2H-thieno[2,3-b][1,4]diazepine is C1=CN=C2SCC=C2N=C1.
What is the InChIKey of 2H-thieno[2,3-b][1,4]diazepine?
The InChIKey is ZBOKHEAWSRUPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-3-8-6-2-5-10-7(6)9-4-1/h1-4H,5H2.
What are the key properties of 2H-thieno[2,3-b][1,4]diazepine?
2H-thieno[2,3-b][1,4]diazepine has a molecular weight of 150.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[2,3-b][1,4]diazepine is sourced from PubChem (CID 152621255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).