2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

C19H24N4S — CID 135704094

IUPAC2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(CC)CC1
InChIInChI=1S/C19H24N4S/c1-3-14-13-15-18(23-11-9-22(4-2)10-12-23)20-16-7-5-6-8-17(16)21-19(15)24-14/h5-8,13,21H,3-4,9-12H2,1-2H3
InChIKeyBRQATYXTWJXGBJ-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.08
Rot. Bonds2

About 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine (PubChem CID 135704094) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine.

Molecular Properties

Compound Name2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
PubChem CID135704094
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(CC)CC1
InChIInChI=1S/C19H24N4S/c1-3-14-13-15-18(23-11-9-22(4-2)10-12-23)20-16-7-5-6-8-17(16)21-19(15)24-14/h5-8,13,21H,3-4,9-12H2,1-2H3
InChIKeyBRQATYXTWJXGBJ-UHFFFAOYSA-N
XLogP4.08
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine?
The IUPAC name of 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine (CID 135704094) is 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine.
What is the SMILES notation for 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine?
The canonical SMILES for 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine is CCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(CC)CC1.
What is the InChIKey of 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine?
The InChIKey is BRQATYXTWJXGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-3-14-13-15-18(23-11-9-22(4-2)10-12-23)20-16-7-5-6-8-17(16)21-19(15)24-14/h5-8,13,21H,3-4,9-12H2,1-2H3.
What are the key properties of 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine?
2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine has a molecular weight of 340.50 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine is sourced from PubChem (CID 135704094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).