2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide

C15H17BrN2OS2 — CID 16900058

IUPAC2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(SCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H17BrN2OS2/c1-2-7-17-14(19)8-13-10-21-15(18-13)20-9-11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,17,19)
InChIKeyNEIXYILOQWYMCF-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.27
Rot. Bonds7

About 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide

2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide (PubChem CID 16900058) has the molecular formula C15H17BrN2OS2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
PubChem CID16900058
Molecular FormulaC15H17BrN2OS2
Molecular Weight385.35 g/mol
Exact Mass384.00
IUPAC Name2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(SCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H17BrN2OS2/c1-2-7-17-14(19)8-13-10-21-15(18-13)20-9-11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,17,19)
InChIKeyNEIXYILOQWYMCF-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide 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-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16900065
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899931
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899798
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 16900060
N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899799
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 16900143
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900519
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 16900109
N-(4-acetylphenyl)-2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900113
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 16900107
N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900302

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
The IUPAC name of 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide (CID 16900058) is 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide is CCCNC(=O)Cc1csc(SCc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
The InChIKey is NEIXYILOQWYMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS2/c1-2-7-17-14(19)8-13-10-21-15(18-13)20-9-11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,17,19).
What are the key properties of 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide has a molecular weight of 385.35 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide is sourced from PubChem (CID 16900058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).