2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

C20H25N3O4S — CID 23001488

IUPAC2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCc1cc(C)cc(OCc2cnc(C3(C)CCN(C(C)C(=O)NO)C3=O)s2)c1
InChIInChI=1S/C20H25N3O4S/c1-12-7-13(2)9-15(8-12)27-11-16-10-21-18(28-16)20(4)5-6-23(19(20)25)14(3)17(24)22-26/h7-10,14,26H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyFEXYTFIUBSCNMY-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.72
Rot. Bonds6

About 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (PubChem CID 23001488) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
PubChem CID23001488
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCc1cc(C)cc(OCc2cnc(C3(C)CCN(C(C)C(=O)NO)C3=O)s2)c1
InChIInChI=1S/C20H25N3O4S/c1-12-7-13(2)9-15(8-12)27-11-16-10-21-18(28-16)20(4)5-6-23(19(20)25)14(3)17(24)22-26/h7-10,14,26H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyFEXYTFIUBSCNMY-UHFFFAOYSA-N
XLogP2.72
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The IUPAC name of 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (CID 23001488) is 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is Cc1cc(C)cc(OCc2cnc(C3(C)CCN(C(C)C(=O)NO)C3=O)s2)c1.
What is the InChIKey of 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The InChIKey is FEXYTFIUBSCNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-12-7-13(2)9-15(8-12)27-11-16-10-21-18(28-16)20(4)5-6-23(19(20)25)14(3)17(24)22-26/h7-10,14,26H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide has a molecular weight of 403.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is sourced from PubChem (CID 23001488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).