2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C23H21ClN4O3S — CID 42920184

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C23H21ClN4O3S/c1-23(12-11-15-7-3-2-4-8-15)21(30)28(22(31)26-23)27-19(29)13-16-14-32-20(25-16)17-9-5-6-10-18(17)24/h2-10,14H,11-13H2,1H3,(H,26,31)(H,27,29)
InChIKeyKRDQWLXPWQDOCK-UHFFFAOYSA-N
MW468.97 g/mol
LogP3.98
Rot. Bonds7

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 42920184) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID42920184
Molecular FormulaC23H21ClN4O3S
Molecular Weight468.97 g/mol
Exact Mass468.10
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C23H21ClN4O3S/c1-23(12-11-15-7-3-2-4-8-15)21(30)28(22(31)26-23)27-19(29)13-16-14-32-20(25-16)17-9-5-6-10-18(17)24/h2-10,14H,11-13H2,1H3,(H,26,31)(H,27,29)
InChIKeyKRDQWLXPWQDOCK-UHFFFAOYSA-N
XLogP3.98
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 42920184) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1=O.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is KRDQWLXPWQDOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c1-23(12-11-15-7-3-2-4-8-15)21(30)28(22(31)26-23)27-19(29)13-16-14-32-20(25-16)17-9-5-6-10-18(17)24/h2-10,14H,11-13H2,1H3,(H,26,31)(H,27,29).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 468.97 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 42920184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).