3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione

C21H23N3O2S — CID 18142631

IUPAC3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCCc3ccccc32)C(=O)N1CN1CCc2sccc2C1
InChIInChI=1S/C21H23N3O2S/c25-19-21(10-4-3-6-15-5-1-2-7-17(15)21)22-20(26)24(19)14-23-11-8-18-16(13-23)9-12-27-18/h1-2,5,7,9,12H,3-4,6,8,10-11,13-14H2,(H,22,26)
InChIKeyFNMSYLCVISEOQT-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.24
Rot. Bonds2

About 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione

3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione (PubChem CID 18142631) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
PubChem CID18142631
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCCc3ccccc32)C(=O)N1CN1CCc2sccc2C1
InChIInChI=1S/C21H23N3O2S/c25-19-21(10-4-3-6-15-5-1-2-7-17(15)21)22-20(26)24(19)14-23-11-8-18-16(13-23)9-12-27-18/h1-2,5,7,9,12H,3-4,6,8,10-11,13-14H2,(H,22,26)
InChIKeyFNMSYLCVISEOQT-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione (CID 18142631) is 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCCCc3ccccc32)C(=O)N1CN1CCc2sccc2C1.
What is the InChIKey of 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
The InChIKey is FNMSYLCVISEOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-19-21(10-4-3-6-15-5-1-2-7-17(15)21)22-20(26)24(19)14-23-11-8-18-16(13-23)9-12-27-18/h1-2,5,7,9,12H,3-4,6,8,10-11,13-14H2,(H,22,26).
What are the key properties of 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione has a molecular weight of 381.50 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 18142631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).