[(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone

C16H18N4O2S2 — CID 124810905

About [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone

[(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone (PubChem CID 124810905) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

• Compound Name: [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
• PubChem CID: 124810905
• Molecular Formula: C16H18N4O2S2
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.09
• IUPAC Name: [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
• SMILES: Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ncccn2)C3)cs1
• InChI: InChI=1S/C16H18N4O2S2/c1-11-19-12(7-23-11)6-22-13-5-16(24-8-13)9-20(10-16)15(21)14-17-3-2-4-18-14/h2-4,7,13H,5-6,8-10H2,1H3/t13-/m0/s1
• InChIKey: QFGFQEPPKSDLQH-ZDUSSCGKSA-N
• XLogP: 2.16
• TPSA: 68.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone?

The IUPAC name of [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone (CID 124810905) is [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone.

What is the SMILES notation for [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone?

The canonical SMILES for [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone is Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ncccn2)C3)cs1.

What is the InChIKey of [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone?

The InChIKey is QFGFQEPPKSDLQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-11-19-12(7-23-11)6-22-13-5-16(24-8-13)9-20(10-16)15(21)14-17-3-2-4-18-14/h2-4,7,13H,5-6,8-10H2,1H3/t13-/m0/s1.

What are the key properties of [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone?

[(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone has a molecular weight of 362.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 124810905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).