6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole

C19H17NS — CID 134693405

IUPAC6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole
SMILESC1=C2CN(c3ccccc3)C(Cc3ccccc3)=C2SC1
InChIInChI=1S/C19H17NS/c1-3-7-15(8-4-1)13-18-19-16(11-12-21-19)14-20(18)17-9-5-2-6-10-17/h1-11H,12-14H2
InChIKeyICLLPDKIHXJQNG-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.63
Rot. Bonds3

About 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole

6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole (PubChem CID 134693405) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole.

Molecular Properties

Compound Name6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole
PubChem CID134693405
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole
SMILESC1=C2CN(c3ccccc3)C(Cc3ccccc3)=C2SC1
InChIInChI=1S/C19H17NS/c1-3-7-15(8-4-1)13-18-19-16(11-12-21-19)14-20(18)17-9-5-2-6-10-17/h1-11H,12-14H2
InChIKeyICLLPDKIHXJQNG-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7098
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(Methylphenylamino)(phenylmethylthio)methane-1-thione
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CID 76669
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CID 12824366
4-[Benzyl(ethyl)amino]phenyl thiocyanate
CID 219554
2,3,5-triphenyl-2H-1,3-thiazol-4-ol
CID 44291259
5-fluoro-1,4-diphenyl-3,6-dihydro-2H-pyridine
CID 134863082
3-((1E)-3-phenyl-2-azaprop-1-enyl)-4-phenyl-1,4-thiazine
CID 719932
N-[(E)-4-phenylbut-3-enyl]-4-thiomorpholino-aniline
CID 6475666
N-[(E)-cinnamyl]-4-thiomorpholino-aniline
CID 6476084

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole?
The IUPAC name of 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole (CID 134693405) is 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole.
What is the SMILES notation for 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole?
The canonical SMILES for 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole is C1=C2CN(c3ccccc3)C(Cc3ccccc3)=C2SC1.
What is the InChIKey of 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole?
The InChIKey is ICLLPDKIHXJQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-3-7-15(8-4-1)13-18-19-16(11-12-21-19)14-20(18)17-9-5-2-6-10-17/h1-11H,12-14H2.
What are the key properties of 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole?
6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole has a molecular weight of 291.42 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-phenyl-2,4-dihydrothieno[2,3-c]pyrrole is sourced from PubChem (CID 134693405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).