2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine

C16H18N4S — CID 135446209

IUPAC2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1
InChIInChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
InChIKeyFHPIXVHJEIZKJW-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.10
Rot. Bonds

About 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine

2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine (PubChem CID 135446209) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
PubChem CID135446209
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1
InChIInChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
InChIKeyFHPIXVHJEIZKJW-UHFFFAOYSA-N
XLogP3.10
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine?
The IUPAC name of 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine (CID 135446209) is 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine.
What is the SMILES notation for 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine?
The canonical SMILES for 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine is Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1.
What is the InChIKey of 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine?
The InChIKey is FHPIXVHJEIZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3.
What are the key properties of 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine?
2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine has a molecular weight of 298.42 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine is sourced from PubChem (CID 135446209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).