N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

C23H22N4O3S2 — CID 46815681

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3ncc(-c4ccccc4)n3C)n2)c(OC)c1
InChIInChI=1S/C23H22N4O3S2/c1-27-19(15-7-5-4-6-8-15)12-24-23(27)32-14-21(28)26-22-25-18(13-31-22)17-10-9-16(29-2)11-20(17)30-3/h4-13H,14H2,1-3H3,(H,25,26,28)
InChIKeyBNQZFDPCEWSPDP-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.96
Rot. Bonds8

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 46815681) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID46815681
Molecular FormulaC23H22N4O3S2
Molecular Weight466.59 g/mol
Exact Mass466.11
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3ncc(-c4ccccc4)n3C)n2)c(OC)c1
InChIInChI=1S/C23H22N4O3S2/c1-27-19(15-7-5-4-6-8-15)12-24-23(27)32-14-21(28)26-22-25-18(13-31-22)17-10-9-16(29-2)11-20(17)30-3/h4-13H,14H2,1-3H3,(H,25,26,28)
InChIKeyBNQZFDPCEWSPDP-UHFFFAOYSA-N
XLogP4.96
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 30398691
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16594029
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 17301740
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550690
N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569187
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586800
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499177
2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 24594067
2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1082112
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46667956

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (CID 46815681) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is COc1ccc(-c2csc(NC(=O)CSc3ncc(-c4ccccc4)n3C)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is BNQZFDPCEWSPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-27-19(15-7-5-4-6-8-15)12-24-23(27)32-14-21(28)26-22-25-18(13-31-22)17-10-9-16(29-2)11-20(17)30-3/h4-13H,14H2,1-3H3,(H,25,26,28).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 466.59 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 46815681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).