1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one

C13H17N3O2S — CID 9000509

About 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one

1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one (PubChem CID 9000509) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one
• PubChem CID: 9000509
• Molecular Formula: C13H17N3O2S
• Molecular Weight: 279.36 g/mol
• Exact Mass: 279.10
• IUPAC Name: 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one
• SMILES: C[C@H]1c2ccsc2CCN1CC(=O)N1CCNC1=O
• InChI: InChI=1S/C13H17N3O2S/c1-9-10-3-7-19-11(10)2-5-15(9)8-12(17)16-6-4-14-13(16)18/h3,7,9H,2,4-6,8H2,1H3,(H,14,18)/t9-/m0/s1
• InChIKey: UGAMMMHYHYINLD-VIFPVBQESA-N
• XLogP: 1.22
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.36
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one?

The IUPAC name of 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one (CID 9000509) is 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one.

What is the SMILES notation for 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one?

The canonical SMILES for 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one is C[C@H]1c2ccsc2CCN1CC(=O)N1CCNC1=O.

What is the InChIKey of 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one?

The InChIKey is UGAMMMHYHYINLD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-10-3-7-19-11(10)2-5-15(9)8-12(17)16-6-4-14-13(16)18/h3,7,9H,2,4-6,8H2,1H3,(H,14,18)/t9-/m0/s1.

What are the key properties of 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one?

1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one has a molecular weight of 279.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9000509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).