2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C13H17N3O3S3 — CID 9454413

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSC2=NCCS2)c1
InChIInChI=1S/C13H17N3O3S3/c1-16(2)22(18,19)11-5-3-4-10(8-11)15-12(17)9-21-13-14-6-7-20-13/h3-5,8H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyCKSBXZXYEYJWJO-UHFFFAOYSA-N
MW359.50 g/mol
LogP1.71
Rot. Bonds5

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 9454413) has the molecular formula C13H17N3O3S3 and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID9454413
Molecular FormulaC13H17N3O3S3
Molecular Weight359.50 g/mol
Exact Mass359.04
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSC2=NCCS2)c1
InChIInChI=1S/C13H17N3O3S3/c1-16(2)22(18,19)11-5-3-4-10(8-11)15-12(17)9-21-13-14-6-7-20-13/h3-5,8H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyCKSBXZXYEYJWJO-UHFFFAOYSA-N
XLogP1.71
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CID 7856042
2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9044613
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8705717
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 857457
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4560229
4-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 1133694
N-[3-(dimethylsulfamoyl)phenyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505860
N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16508055
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 18276437

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 9454413) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSC2=NCCS2)c1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is CKSBXZXYEYJWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S3/c1-16(2)22(18,19)11-5-3-4-10(8-11)15-12(17)9-21-13-14-6-7-20-13/h3-5,8H,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9454413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).