(1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C16H20N4O2S2 — CID 124821967

About (1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

(1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124821967) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 124821967
• Molecular Formula: C16H20N4O2S2
• Molecular Weight: 364.50 g/mol
• Exact Mass: 364.10
• IUPAC Name: (1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccn(C)n2)C3)cs1
• InChI: InChI=1S/C16H20N4O2S2/c1-11-17-12(7-23-11)6-22-13-5-16(24-8-13)9-20(10-16)15(21)14-3-4-19(2)18-14/h3-4,7,13H,5-6,8-10H2,1-2H3/t13-/m1/s1
• InChIKey: YZLXLHRDYLGRPY-CYBMUJFWSA-N
• XLogP: 2.10
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.50
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124821967) is (1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

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

The canonical SMILES for (1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccn(C)n2)C3)cs1.

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

The InChIKey is YZLXLHRDYLGRPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-11-17-12(7-23-11)6-22-13-5-16(24-8-13)9-20(10-16)15(21)14-3-4-19(2)18-14/h3-4,7,13H,5-6,8-10H2,1-2H3/t13-/m1/s1.

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

(1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 364.50 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrazol-3-yl)-[(7R)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124821967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).