(6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H28N4O2S — CID 98301776

About (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 98301776) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 98301776
• Molecular Formula: C20H28N4O2S
• Molecular Weight: 388.54 g/mol
• Exact Mass: 388.19
• IUPAC Name: (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: O=C(CC1=CSC2=NCCCN12)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1
• InChI: InChI=1S/C20H28N4O2S/c25-17-5-7-20(14-24(17)15-3-4-15)6-1-9-22(13-20)18(26)11-16-12-27-19-21-8-2-10-23(16)19/h12,15H,1-11,13-14H2/t20-/m0/s1
• InChIKey: IVIWVSSRNDGUSO-FQEVSTJZSA-N
• XLogP: 2.42
• TPSA: 56.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.54
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 98301776) is (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C(CC1=CSC2=NCCCN12)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1.

What is the InChIKey of (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is IVIWVSSRNDGUSO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N4O2S/c25-17-5-7-20(14-24(17)15-3-4-15)6-1-9-22(13-20)18(26)11-16-12-27-19-21-8-2-10-23(16)19/h12,15H,1-11,13-14H2/t20-/m0/s1.

What are the key properties of (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

(6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 388.54 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 98301776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).