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

C12H14N2OS2 — CID 861411

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSC1=NCCS1
InChIInChI=1S/C12H14N2OS2/c1-9-4-2-3-5-10(9)14-11(15)8-17-12-13-6-7-16-12/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyUKGYZZYABOSAFG-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.77
Rot. Bonds3

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

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide (PubChem CID 861411) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
PubChem CID861411
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSC1=NCCS1
InChIInChI=1S/C12H14N2OS2/c1-9-4-2-3-5-10(9)14-11(15)8-17-12-13-6-7-16-12/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyUKGYZZYABOSAFG-UHFFFAOYSA-N
XLogP2.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 21230694
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 2359401
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4553018
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 9454427
N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30897344
N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 5044299
N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 5155089
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone
CID 794515
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 711233
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide (CID 861411) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide?
The InChIKey is UKGYZZYABOSAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-9-4-2-3-5-10(9)14-11(15)8-17-12-13-6-7-16-12/h2-5H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide has a molecular weight of 266.39 g/mol, XLogP of 2.77, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 861411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).