2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol

C13H21N3OS — CID 167048080

About 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol

2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol (PubChem CID 167048080) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol
• PubChem CID: 167048080
• Molecular Formula: C13H21N3OS
• Molecular Weight: 267.40 g/mol
• Exact Mass: 267.14
• IUPAC Name: 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol
• SMILES: CC(C)(O)c1nc2c(s1)[C@@H](N)C1(CCNCC1)C2
• InChI: InChI=1S/C13H21N3OS/c1-12(2,17)11-16-8-7-13(3-5-15-6-4-13)10(14)9(8)18-11/h10,15,17H,3-7,14H2,1-2H3/t10-/m1/s1
• InChIKey: PTHCAHGZMDUSDK-SNVBAGLBSA-N
• XLogP: 1.30
• TPSA: 71.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.40
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol?

The IUPAC name of 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol (CID 167048080) is 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol.

What is the SMILES notation for 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol?

The canonical SMILES for 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol is CC(C)(O)c1nc2c(s1)[C@@H](N)C1(CCNCC1)C2.

What is the InChIKey of 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol?

The InChIKey is PTHCAHGZMDUSDK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-12(2,17)11-16-8-7-13(3-5-15-6-4-13)10(14)9(8)18-11/h10,15,17H,3-7,14H2,1-2H3/t10-/m1/s1.

What are the key properties of 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol?

2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol has a molecular weight of 267.40 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol is sourced from PubChem (CID 167048080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).