3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine

C15H16N2S — CID 142709164

IUPAC3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine
SMILESCC1(C)CNc2sccc2C(c2ccccc2)=N1
InChIInChI=1S/C15H16N2S/c1-15(2)10-16-14-12(8-9-18-14)13(17-15)11-6-4-3-5-7-11/h3-9,16H,10H2,1-2H3
InChIKeyCHFVJWNGXJPKFT-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.79
Rot. Bonds1

About 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine

3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine (PubChem CID 142709164) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine
PubChem CID142709164
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine
SMILESCC1(C)CNc2sccc2C(c2ccccc2)=N1
InChIInChI=1S/C15H16N2S/c1-15(2)10-16-14-12(8-9-18-14)13(17-15)11-6-4-3-5-7-11/h3-9,16H,10H2,1-2H3
InChIKeyCHFVJWNGXJPKFT-UHFFFAOYSA-N
XLogP3.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
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2-(2-methyl-6-phenylphenyl)-1,3-thiazole
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2-(2-methylsulfanylthiophen-3-yl)-6-phenylpyridine
CID 139905761
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine?
The IUPAC name of 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine (CID 142709164) is 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine.
What is the SMILES notation for 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine?
The canonical SMILES for 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine is CC1(C)CNc2sccc2C(c2ccccc2)=N1.
What is the InChIKey of 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine?
The InChIKey is CHFVJWNGXJPKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-15(2)10-16-14-12(8-9-18-14)13(17-15)11-6-4-3-5-7-11/h3-9,16H,10H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine?
3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine has a molecular weight of 256.37 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-phenyl-1,2-dihydrothieno[2,3-e][1,4]diazepine is sourced from PubChem (CID 142709164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).