1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione

C19H21N3O3S2 — CID 9075375

About 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione

1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione (PubChem CID 9075375) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione
• PubChem CID: 9075375
• Molecular Formula: C19H21N3O3S2
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.10
• IUPAC Name: 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione
• SMILES: CN1CC(=O)N(CCCC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O
• InChI: InChI=1S/C19H21N3O3S2/c1-20-12-17(24)22(19(20)25)8-2-5-16(23)21-9-6-14-13(7-11-27-14)18(21)15-4-3-10-26-15/h3-4,7,10-11,18H,2,5-6,8-9,12H2,1H3/t18-/m0/s1
• InChIKey: JPLSHLRQVNIWOA-SFHVURJKSA-N
• XLogP: 2.96
• TPSA: 60.93 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione?

The IUPAC name of 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione (CID 9075375) is 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione.

What is the SMILES notation for 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione?

The canonical SMILES for 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione is CN1CC(=O)N(CCCC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O.

What is the InChIKey of 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione?

The InChIKey is JPLSHLRQVNIWOA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-20-12-17(24)22(19(20)25)8-2-5-16(23)21-9-6-14-13(7-11-27-14)18(21)15-4-3-10-26-15/h3-4,7,10-11,18H,2,5-6,8-9,12H2,1H3/t18-/m0/s1.

What are the key properties of 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione?

1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione has a molecular weight of 403.53 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 9075375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).