3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide

C20H24N4O2S — CID 165397235

About 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide

3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 165397235) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

• Compound Name: 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide
• PubChem CID: 165397235
• Molecular Formula: C20H24N4O2S
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.16
• IUPAC Name: 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide
• SMILES: C[C@H]1CCN1c1nc2c(c(-c3cccc(C4CCS(=O)(=O)N4)c3)n1)CCC2
• InChI: InChI=1S/C20H24N4O2S/c1-13-8-10-24(13)20-21-18-7-3-6-16(18)19(22-20)15-5-2-4-14(12-15)17-9-11-27(25,26)23-17/h2,4-5,12-13,17,23H,3,6-11H2,1H3/t13-,17?/m0/s1
• InChIKey: UBKCXTVLXMXRMS-CWQZNGJJSA-N
• XLogP: 2.60
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide?

The IUPAC name of 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide (CID 165397235) is 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide.

What is the SMILES notation for 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide?

The canonical SMILES for 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide is C[C@H]1CCN1c1nc2c(c(-c3cccc(C4CCS(=O)(=O)N4)c3)n1)CCC2.

What is the InChIKey of 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide?

The InChIKey is UBKCXTVLXMXRMS-CWQZNGJJSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-8-10-24(13)20-21-18-7-3-6-16(18)19(22-20)15-5-2-4-14(12-15)17-9-11-27(25,26)23-17/h2,4-5,12-13,17,23H,3,6-11H2,1H3/t13-,17?/m0/s1.

What are the key properties of 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide?

3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 384.51 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 165397235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).