(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

C16H20N4OS2 — CID 97374169

About (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374169) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

• Compound Name: (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
• PubChem CID: 97374169
• Molecular Formula: C16H20N4OS2
• Molecular Weight: 348.50 g/mol
• Exact Mass: 348.11
• IUPAC Name: (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
• SMILES: Cc1nc(CN2C[C@]3(CCN(Cc4nccs4)C3)CC2=O)cs1
• InChI: InChI=1S/C16H20N4OS2/c1-12-18-13(9-23-12)7-20-11-16(6-15(20)21)2-4-19(10-16)8-14-17-3-5-22-14/h3,5,9H,2,4,6-8,10-11H2,1H3/t16-/m1/s1
• InChIKey: YOEJAZRCFHFTFJ-MRXNPFEDSA-N
• XLogP: 2.53
• TPSA: 49.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.50
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?

The IUPAC name of (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97374169) is (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

What is the SMILES notation for (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?

The canonical SMILES for (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1nc(CN2C[C@]3(CCN(Cc4nccs4)C3)CC2=O)cs1.

What is the InChIKey of (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?

The InChIKey is YOEJAZRCFHFTFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-12-18-13(9-23-12)7-20-11-16(6-15(20)21)2-4-19(10-16)8-14-17-3-5-22-14/h3,5,9H,2,4,6-8,10-11H2,1H3/t16-/m1/s1.

What are the key properties of (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?

(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 348.50 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).