N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C18H21N3O2S2 — CID 17498432

IUPACN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCCc1ccc(-c2nc(NC(=O)CN3CCSC3=O)sc2C)cc1
InChIInChI=1S/C18H21N3O2S2/c1-3-4-13-5-7-14(8-6-13)16-12(2)25-17(20-16)19-15(22)11-21-9-10-24-18(21)23/h5-8H,3-4,9-11H2,1-2H3,(H,19,20,22)
InChIKeyNEWWQLNJIDNZKJ-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.18
Rot. Bonds6

About N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 17498432) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID17498432
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCCc1ccc(-c2nc(NC(=O)CN3CCSC3=O)sc2C)cc1
InChIInChI=1S/C18H21N3O2S2/c1-3-4-13-5-7-14(8-6-13)16-12(2)25-17(20-16)19-15(22)11-21-9-10-24-18(21)23/h5-8H,3-4,9-11H2,1-2H3,(H,19,20,22)
InChIKeyNEWWQLNJIDNZKJ-UHFFFAOYSA-N
XLogP4.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119681848
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17457754
4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
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
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17442649
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24560199
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide
CID 173175208
3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 46668027
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
trans-(1S,2S)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1231767
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 60615839

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 17498432) is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CCCc1ccc(-c2nc(NC(=O)CN3CCSC3=O)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is NEWWQLNJIDNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-3-4-13-5-7-14(8-6-13)16-12(2)25-17(20-16)19-15(22)11-21-9-10-24-18(21)23/h5-8H,3-4,9-11H2,1-2H3,(H,19,20,22).
What are the key properties of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 17498432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).