2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide

C13H16N2OS2 — CID 7856042

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2=NCCS2)cc1C
InChIInChI=1S/C13H16N2OS2/c1-9-3-4-11(7-10(9)2)15-12(16)8-18-13-14-5-6-17-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyYEMPIMMIUSOEOQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.08
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 7856042) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID7856042
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2=NCCS2)cc1C
InChIInChI=1S/C13H16N2OS2/c1-9-3-4-11(7-10(9)2)15-12(16)8-18-13-14-5-6-17-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyYEMPIMMIUSOEOQ-UHFFFAOYSA-N
XLogP3.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 857457
4-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 1133694
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 4256931
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9454413
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 845171
N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 5044299
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 3435498
N-(5-chloro-2-fluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 17403421
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 9454427
N-(3,4-dimethylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798112
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide
CID 3886802
N'-acetyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetohydrazide
CID 9373062

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide (CID 7856042) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSC2=NCCS2)cc1C.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is YEMPIMMIUSOEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-9-3-4-11(7-10(9)2)15-12(16)8-18-13-14-5-6-17-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 280.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 7856042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).