N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H18Cl2N4O3S2 — CID 55396420

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55396420) has the molecular formula C18H18Cl2N4O3S2 and a molecular weight of 473.41 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• PubChem CID: 55396420
• Molecular Formula: C18H18Cl2N4O3S2
• Molecular Weight: 473.41 g/mol
• Exact Mass: 472.02
• IUPAC Name: N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• SMILES: CN1C(=O)N(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)C(=O)C12CCCCC2
• InChI: InChI=1S/C18H18Cl2N4O3S2/c1-23-17(27)24(15(26)18(23)5-3-2-4-6-18)8-13(25)22-16-21-11(9-28-16)10-7-12(19)29-14(10)20/h7,9H,2-6,8H2,1H3,(H,21,22,25)
• InChIKey: YPENHVBTHJDUNA-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.41
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55396420) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN1C(=O)N(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)C(=O)C12CCCCC2.

What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is YPENHVBTHJDUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O3S2/c1-23-17(27)24(15(26)18(23)5-3-2-4-6-18)8-13(25)22-16-21-11(9-28-16)10-7-12(19)29-14(10)20/h7,9H,2-6,8H2,1H3,(H,21,22,25).

What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 473.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55396420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).