2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C23H22N4OS2 — CID 56523602

IUPAC2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NC(c2ccccc2)c2nccs2)c1C
InChIInChI=1S/C23H22N4OS2/c1-16-7-6-10-19(17(16)2)27-13-11-25-23(27)30-15-20(28)26-21(22-24-12-14-29-22)18-8-4-3-5-9-18/h3-14,21H,15H2,1-2H3,(H,26,28)
InChIKeyOHSOYSIBSDHDBE-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.94
Rot. Bonds7

About 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56523602) has the molecular formula C23H22N4OS2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56523602
Molecular FormulaC23H22N4OS2
Molecular Weight434.59 g/mol
Exact Mass434.12
IUPAC Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NC(c2ccccc2)c2nccs2)c1C
InChIInChI=1S/C23H22N4OS2/c1-16-7-6-10-19(17(16)2)27-13-11-25-23(27)30-15-20(28)26-21(22-24-12-14-29-22)18-8-4-3-5-9-18/h3-14,21H,15H2,1-2H3,(H,26,28)
InChIKeyOHSOYSIBSDHDBE-UHFFFAOYSA-N
XLogP4.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56540997
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56568359
N-[phenyl(1,3-thiazol-2-yl)methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 56523166
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56529662
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56568392
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41042053
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-pyridin-3-ylacetamide
CID 39761133
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide
CID 33459211

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56523602) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is Cc1cccc(-n2ccnc2SCC(=O)NC(c2ccccc2)c2nccs2)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is OHSOYSIBSDHDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS2/c1-16-7-6-10-19(17(16)2)27-13-11-25-23(27)30-15-20(28)26-21(22-24-12-14-29-22)18-8-4-3-5-9-18/h3-14,21H,15H2,1-2H3,(H,26,28).
What are the key properties of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 434.59 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56523602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).