2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine

C17H20N4S — CID 67010541

IUPAC2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine
SMILESCc1cc2c(s1)N(N1CCN(C)CC1)c1ccccc1N=C2
InChIInChI=1S/C17H20N4S/c1-13-11-14-12-18-15-5-3-4-6-16(15)21(17(14)22-13)20-9-7-19(2)8-10-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBOPVXTWIULZASU-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.42
Rot. Bonds1

About 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine

2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine (PubChem CID 67010541) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine.

Molecular Properties

Compound Name2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine
PubChem CID67010541
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine
SMILESCc1cc2c(s1)N(N1CCN(C)CC1)c1ccccc1N=C2
InChIInChI=1S/C17H20N4S/c1-13-11-14-12-18-15-5-3-4-6-16(15)21(17(14)22-13)20-9-7-19(2)8-10-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBOPVXTWIULZASU-UHFFFAOYSA-N
XLogP3.42
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine?
The IUPAC name of 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine (CID 67010541) is 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine.
What is the SMILES notation for 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine?
The canonical SMILES for 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine is Cc1cc2c(s1)N(N1CCN(C)CC1)c1ccccc1N=C2.
What is the InChIKey of 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine?
The InChIKey is BOPVXTWIULZASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-13-11-14-12-18-15-5-3-4-6-16(15)21(17(14)22-13)20-9-7-19(2)8-10-20/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine?
2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine has a molecular weight of 312.44 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine is sourced from PubChem (CID 67010541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).