4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide

C19H20N2OS2 — CID 39368866

IUPAC4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(CSC2=NCCS2)cc1
InChIInChI=1S/C19H20N2OS2/c1-13-4-3-5-14(2)17(13)21-18(22)16-8-6-15(7-9-16)12-24-19-20-10-11-23-19/h3-9H,10-12H2,1-2H3,(H,21,22)
InChIKeyHULKCENFOZUJQP-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.89
Rot. Bonds4

About 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide

4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide (PubChem CID 39368866) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide
PubChem CID39368866
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(CSC2=NCCS2)cc1
InChIInChI=1S/C19H20N2OS2/c1-13-4-3-5-14(2)17(13)21-18(22)16-8-6-15(7-9-16)12-24-19-20-10-11-23-19/h3-9H,10-12H2,1-2H3,(H,21,22)
InChIKeyHULKCENFOZUJQP-UHFFFAOYSA-N
XLogP4.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 39368879
4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoic acid
CID 12834411
N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 26894465
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 27759893
N-(2,6-dimethylphenyl)-4-[(4-ethylphenoxy)methyl]benzamide
CID 1226229
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)butanamide
CID 23772212
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9092933
4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide
CID 102852150
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126415995

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide?
The IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide (CID 39368866) is 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide?
The canonical SMILES for 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide is Cc1cccc(C)c1NC(=O)c1ccc(CSC2=NCCS2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide?
The InChIKey is HULKCENFOZUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-13-4-3-5-14(2)17(13)21-18(22)16-8-6-15(7-9-16)12-24-19-20-10-11-23-19/h3-9H,10-12H2,1-2H3,(H,21,22).
What are the key properties of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide?
4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide has a molecular weight of 356.52 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 39368866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).