2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol

C19H24N4OS — CID 135746674

IUPAC2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol
SMILESCCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(CCO)CC1
InChIInChI=1S/C19H24N4OS/c1-2-14-13-15-18(23-9-7-22(8-10-23)11-12-24)20-16-5-3-4-6-17(16)21-19(15)25-14/h3-6,13,21,24H,2,7-12H2,1H3
InChIKeyBJTTUIAZZCVYIC-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.06
Rot. Bonds3

About 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol

2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol (PubChem CID 135746674) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol
PubChem CID135746674
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol
SMILESCCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(CCO)CC1
InChIInChI=1S/C19H24N4OS/c1-2-14-13-15-18(23-9-7-22(8-10-23)11-12-24)20-16-5-3-4-6-17(16)21-19(15)25-14/h3-6,13,21,24H,2,7-12H2,1H3
InChIKeyBJTTUIAZZCVYIC-UHFFFAOYSA-N
XLogP3.06
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol (CID 135746674) is 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol is CCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is BJTTUIAZZCVYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-2-14-13-15-18(23-9-7-22(8-10-23)11-12-24)20-16-5-3-4-6-17(16)21-19(15)25-14/h3-6,13,21,24H,2,7-12H2,1H3.
What are the key properties of 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol?
2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 356.50 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 135746674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).