N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C15H11Cl2N3O3S — CID 2359661

IUPACN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C15H11Cl2N3O3S/c16-8-1-2-10(17)9(5-8)11-7-24-15(18-11)19-12(21)6-20-13(22)3-4-14(20)23/h1-2,5,7H,3-4,6H2,(H,18,19,21)
InChIKeyHQLFXNRKQJLMLO-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.20
Rot. Bonds4

About N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 2359661) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID2359661
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C15H11Cl2N3O3S/c16-8-1-2-10(17)9(5-8)11-7-24-15(18-11)19-12(21)6-20-13(22)3-4-14(20)23/h1-2,5,7H,3-4,6H2,(H,18,19,21)
InChIKeyHQLFXNRKQJLMLO-UHFFFAOYSA-N
XLogP3.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2471055
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 3279249
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2337188
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951199
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 959115
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18089737
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 22197983
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198434
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 31847833
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43042831

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 2359661) is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is HQLFXNRKQJLMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c16-8-1-2-10(17)9(5-8)11-7-24-15(18-11)19-12(21)6-20-13(22)3-4-14(20)23/h1-2,5,7H,3-4,6H2,(H,18,19,21).
What are the key properties of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 384.24 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2359661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).