2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine

C18H22N4S — CID 70302364

IUPAC2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine
SMILESCc1cc2c(s1)=Nc1ccccc1N(C)C=2N1CCN(C)CC1
InChIInChI=1S/C18H22N4S/c1-13-12-14-17(23-13)19-15-6-4-5-7-16(15)21(3)18(14)22-10-8-20(2)9-11-22/h4-7,12H,8-11H2,1-3H3
InChIKeyNOSBQRXNOXRLPP-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.77
Rot. Bonds1

About 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine

2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine (PubChem CID 70302364) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine.

Molecular Properties

Compound Name2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine
PubChem CID70302364
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine
SMILESCc1cc2c(s1)=Nc1ccccc1N(C)C=2N1CCN(C)CC1
InChIInChI=1S/C18H22N4S/c1-13-12-14-17(23-13)19-15-6-4-5-7-16(15)21(3)18(14)22-10-8-20(2)9-11-22/h4-7,12H,8-11H2,1-3H3
InChIKeyNOSBQRXNOXRLPP-UHFFFAOYSA-N
XLogP1.77
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine?
The IUPAC name of 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine (CID 70302364) is 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine.
What is the SMILES notation for 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine?
The canonical SMILES for 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine is Cc1cc2c(s1)=Nc1ccccc1N(C)C=2N1CCN(C)CC1.
What is the InChIKey of 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine?
The InChIKey is NOSBQRXNOXRLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-13-12-14-17(23-13)19-15-6-4-5-7-16(15)21(3)18(14)22-10-8-20(2)9-11-22/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine?
2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine has a molecular weight of 326.47 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine is sourced from PubChem (CID 70302364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).