2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

C17H20N2OS2 — CID 16900397

IUPAC2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(SCc2cc(C)ccc2C)n1
InChIInChI=1S/C17H20N2OS2/c1-4-7-18-16(20)9-15-11-22-17(19-15)21-10-14-8-12(2)5-6-13(14)3/h4-6,8,11H,1,7,9-10H2,2-3H3,(H,18,20)
InChIKeyYSHLLIHRRVTRDJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (PubChem CID 16900397) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
PubChem CID16900397
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC Name2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(SCc2cc(C)ccc2C)n1
InChIInChI=1S/C17H20N2OS2/c1-4-7-18-16(20)9-15-11-22-17(19-15)21-10-14-8-12(2)5-6-13(14)3/h4-6,8,11H,1,7,9-10H2,2-3H3,(H,18,20)
InChIKeyYSHLLIHRRVTRDJ-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16900430
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 16900185
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 16839747
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 16900442
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 45497705
butyl 4-[[2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 16839746
N-(3,4-dimethylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899482
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 94256521
N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900302
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110374660
ethyl 2-[2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8606201
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 16900390

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (CID 16900397) is 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cc1csc(SCc2cc(C)ccc2C)n1.
What is the InChIKey of 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The InChIKey is YSHLLIHRRVTRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS2/c1-4-7-18-16(20)9-15-11-22-17(19-15)21-10-14-8-12(2)5-6-13(14)3/h4-6,8,11H,1,7,9-10H2,2-3H3,(H,18,20).
What are the key properties of 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide has a molecular weight of 332.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 16900397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).