7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine

C16H16N2O2S — CID 15587287

IUPAC7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(c1cccs1)=NN=C(C)C2
InChIInChI=1S/C16H16N2O2S/c1-10-7-11-8-13(19-2)14(20-3)9-12(11)16(18-17-10)15-5-4-6-21-15/h4-6,8-9H,7H2,1-3H3
InChIKeySNHOCWVLRJWZQI-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.53
Rot. Bonds3

About 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine

7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine (PubChem CID 15587287) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine.

Molecular Properties

Compound Name7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine
PubChem CID15587287
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(c1cccs1)=NN=C(C)C2
InChIInChI=1S/C16H16N2O2S/c1-10-7-11-8-13(19-2)14(20-3)9-12(11)16(18-17-10)15-5-4-6-21-15/h4-6,8-9H,7H2,1-3H3
InChIKeySNHOCWVLRJWZQI-UHFFFAOYSA-N
XLogP3.53
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine?
The IUPAC name of 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine (CID 15587287) is 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine.
What is the SMILES notation for 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine?
The canonical SMILES for 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine is COc1cc2c(cc1OC)C(c1cccs1)=NN=C(C)C2.
What is the InChIKey of 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine?
The InChIKey is SNHOCWVLRJWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-7-11-8-13(19-2)14(20-3)9-12(11)16(18-17-10)15-5-4-6-21-15/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine?
7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine has a molecular weight of 300.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine is sourced from PubChem (CID 15587287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).