N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C23H22N4OS2 — CID 16600399

IUPACN-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CSc2nccn2-c2ccc(C)cc2C)cs1
InChIInChI=1S/C23H22N4OS2/c1-16-9-10-21(17(2)13-16)26-12-11-24-22(26)29-14-19-15-30-23(25-19)27(18(3)28)20-7-5-4-6-8-20/h4-13,15H,14H2,1-3H3
InChIKeyJQUAMZDYFILZNE-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.92
Rot. Bonds6

About N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 16600399) has the molecular formula C23H22N4OS2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID16600399
Molecular FormulaC23H22N4OS2
Molecular Weight434.59 g/mol
Exact Mass434.12
IUPAC NameN-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CSc2nccn2-c2ccc(C)cc2C)cs1
InChIInChI=1S/C23H22N4OS2/c1-16-9-10-21(17(2)13-16)26-12-11-24-22(26)29-14-19-15-30-23(25-19)27(18(3)28)20-7-5-4-6-8-20/h4-13,15H,14H2,1-3H3
InChIKeyJQUAMZDYFILZNE-UHFFFAOYSA-N
XLogP5.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-N-[4-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 24584872
N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 55517514
N-(2,4-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728153
2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 24626686
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 46815768
N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24591525
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870886
N-phenyl-N-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35064397
N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 119041182
N-[4-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 31456717
2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
CID 37143292
N-[4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825410

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 16600399) is N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(CSc2nccn2-c2ccc(C)cc2C)cs1.
What is the InChIKey of N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is JQUAMZDYFILZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS2/c1-16-9-10-21(17(2)13-16)26-12-11-24-22(26)29-14-19-15-30-23(25-19)27(18(3)28)20-7-5-4-6-8-20/h4-13,15H,14H2,1-3H3.
What are the key properties of N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 434.59 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 16600399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).