N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid

C20H25N3O4S — CID 163340575

IUPACN-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid
SMILESCc1ccc(C)c(-c2nc(NC(=O)CN3CCCCC3=O)sc2C)c1.O=CO
InChIInChI=1S/C19H23N3O2S.CH2O2/c1-12-7-8-13(2)15(10-12)18-14(3)25-19(21-18)20-16(23)11-22-9-5-4-6-17(22)24;2-1-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,20,21,23);1H,(H,2,3)
InChIKeyNODHYZQIJXQOAU-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.39
Rot. Bonds4

About N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid

N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid (PubChem CID 163340575) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid
PubChem CID163340575
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid
SMILESCc1ccc(C)c(-c2nc(NC(=O)CN3CCCCC3=O)sc2C)c1.O=CO
InChIInChI=1S/C19H23N3O2S.CH2O2/c1-12-7-8-13(2)15(10-12)18-14(3)25-19(21-18)20-16(23)11-22-9-5-4-6-17(22)24;2-1-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,20,21,23);1H,(H,2,3)
InChIKeyNODHYZQIJXQOAU-UHFFFAOYSA-N
XLogP3.39
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78867878
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78861484
2-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177638
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78886465
N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide
CID 156585543
3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183433
N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide
CID 156585824
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87310875
N-benzo[e][1,3]benzothiazol-2-yl-2-(2-oxoazocan-1-yl)acetamide
CID 55755320
2-(2-oxopiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 78864857

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid (CID 163340575) is N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid is Cc1ccc(C)c(-c2nc(NC(=O)CN3CCCCC3=O)sc2C)c1.O=CO.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid?
The InChIKey is NODHYZQIJXQOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.CH2O2/c1-12-7-8-13(2)15(10-12)18-14(3)25-19(21-18)20-16(23)11-22-9-5-4-6-17(22)24;2-1-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,20,21,23);1H,(H,2,3).
What are the key properties of N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid?
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid has a molecular weight of 403.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid is sourced from PubChem (CID 163340575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).