N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C20H22N4O5S — CID 24978952

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)cc1OC
InChIInChI=1S/C20H22N4O5S/c1-28-14-6-5-12(9-15(14)29-2)13-11-30-18(21-13)22-16(25)10-24-17(26)20(23-19(24)27)7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,23,27)(H,21,22,25)
InChIKeyCQSAJEVGICUBCS-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.63
Rot. Bonds6

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 24978952) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID24978952
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)cc1OC
InChIInChI=1S/C20H22N4O5S/c1-28-14-6-5-12(9-15(14)29-2)13-11-30-18(21-13)22-16(25)10-24-17(26)20(23-19(24)27)7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,23,27)(H,21,22,25)
InChIKeyCQSAJEVGICUBCS-UHFFFAOYSA-N
XLogP2.63
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 24978952) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is COc1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is CQSAJEVGICUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-28-14-6-5-12(9-15(14)29-2)13-11-30-18(21-13)22-16(25)10-24-17(26)20(23-19(24)27)7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,23,27)(H,21,22,25).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 430.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 24978952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).