2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride

C12H16ClN3OS — CID 12005940

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCc1ccccc1NC(=O)CSC1=NCCN1.Cl
InChIInChI=1S/C12H15N3OS.ClH/c1-9-4-2-3-5-10(9)15-11(16)8-17-12-13-6-7-14-12;/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16);1H
InChIKeyWZKWFQQNQNZJDB-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.05
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride (PubChem CID 12005940) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride
PubChem CID12005940
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCc1ccccc1NC(=O)CSC1=NCCN1.Cl
InChIInChI=1S/C12H15N3OS.ClH/c1-9-4-2-3-5-10(9)15-11(16)8-17-12-13-6-7-14-12;/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16);1H
InChIKeyWZKWFQQNQNZJDB-UHFFFAOYSA-N
XLogP2.05
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide
CID 166572
S-2-(o-toluidino)-2-oxoethyl carbamothioate
CID 224667
2-o-Tolylamino-thiazol-4-one
CID 135415405
N-(2-Methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2064062
Butamisole
CID 76964745
2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 135432371
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
CID 651069
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride (CID 12005940) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride is Cc1ccccc1NC(=O)CSC1=NCCN1.Cl.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride?
The InChIKey is WZKWFQQNQNZJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS.ClH/c1-9-4-2-3-5-10(9)15-11(16)8-17-12-13-6-7-14-12;/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 12005940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).