N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C14H15N3O2S2 — CID 4031072

IUPACN-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-9-7-20-14(15-9)21-8-13(19)17-12-5-3-11(4-6-12)16-10(2)18/h3-7H,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXGKKIKNXYKROGA-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.14
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 4031072) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID4031072
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-9-7-20-14(15-9)21-8-13(19)17-12-5-3-11(4-6-12)16-10(2)18/h3-7H,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXGKKIKNXYKROGA-UHFFFAOYSA-N
XLogP3.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide 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

N-[4-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2088011
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532912
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-bromophenyl)acetamide
CID 16898741
methyl 2-chloro-5-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 3651660
N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4273361
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4238927
2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55920308
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2532628
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
N-(3-methylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8936324

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 4031072) is N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2nc(C)cs2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XGKKIKNXYKROGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-9-7-20-14(15-9)21-8-13(19)17-12-5-3-11(4-6-12)16-10(2)18/h3-7H,8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4031072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).