N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide

C23H22ClN5O2S2 — CID 54613443

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Nn2c(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)nc(C)c2C)cc1
InChIInChI=1S/C23H22ClN5O2S2/c1-14-15(2)29(28-18-8-10-19(31-3)11-9-18)23(25-14)33-13-21(30)27-22-26-20(12-32-22)16-4-6-17(24)7-5-16/h4-12,28H,13H2,1-3H3,(H,26,27,30)
InChIKeyXYAISKQFVIDQGK-UHFFFAOYSA-N
MW500.05 g/mol
LogP5.89
Rot. Bonds8

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide (PubChem CID 54613443) has the molecular formula C23H22ClN5O2S2 and a molecular weight of 500.05 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
PubChem CID54613443
Molecular FormulaC23H22ClN5O2S2
Molecular Weight500.05 g/mol
Exact Mass499.09
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Nn2c(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)nc(C)c2C)cc1
InChIInChI=1S/C23H22ClN5O2S2/c1-14-15(2)29(28-18-8-10-19(31-3)11-9-18)23(25-14)33-13-21(30)27-22-26-20(12-32-22)16-4-6-17(24)7-5-16/h4-12,28H,13H2,1-3H3,(H,26,27,30)
InChIKeyXYAISKQFVIDQGK-UHFFFAOYSA-N
XLogP5.89
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.05
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
2-{5-[(4-Methoxy-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1136046
2-((5-(4-chlorophenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1281418
2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 54613367
2-[5-(4-Chloro-phenyl)-4-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 1130201
2-[4-(4-Methoxy-phenyl)-5-(p-tolylamino-methyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1130311
2-((5-(4-chlorophenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 1304932
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 46193012
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 171350714
3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)propanamide
CID 1179276
1-[2-(4-Chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea
CID 2745930
2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-diamine
CID 76315097

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide (CID 54613443) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide is COc1ccc(Nn2c(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)nc(C)c2C)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The InChIKey is XYAISKQFVIDQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2S2/c1-14-15(2)29(28-18-8-10-19(31-3)11-9-18)23(25-14)33-13-21(30)27-22-26-20(12-32-22)16-4-6-17(24)7-5-16/h4-12,28H,13H2,1-3H3,(H,26,27,30).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide has a molecular weight of 500.05 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 54613443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).