3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H30N4O3S — CID 166615672

About 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166615672) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 166615672
• Molecular Formula: C21H30N4O3S
• Molecular Weight: 418.56 g/mol
• Exact Mass: 418.20
• IUPAC Name: 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: Cc1nc(CC(=O)N2CCC3(CC2)C(=O)N(CC2CC2)C(=O)N3CC(C)C)cs1
• InChI: InChI=1S/C21H30N4O3S/c1-14(2)11-25-20(28)24(12-16-4-5-16)19(27)21(25)6-8-23(9-7-21)18(26)10-17-13-29-15(3)22-17/h13-14,16H,4-12H2,1-3H3
• InChIKey: YDGLVCBIDPAZAE-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 73.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.56
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166615672) is 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1nc(CC(=O)N2CCC3(CC2)C(=O)N(CC2CC2)C(=O)N3CC(C)C)cs1.

What is the InChIKey of 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is YDGLVCBIDPAZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-14(2)11-25-20(28)24(12-16-4-5-16)19(27)21(25)6-8-23(9-7-21)18(26)10-17-13-29-15(3)22-17/h13-14,16H,4-12H2,1-3H3.

What are the key properties of 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 418.56 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166615672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).