2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

C24H20N4O2S2 — CID 29278545

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C24H20N4O2S2/c1-15-20(16(2)30-27-15)14-32-22-6-4-3-5-19(22)23(29)25-18-9-7-17(8-10-18)21-13-28-11-12-31-24(28)26-21/h3-13H,14H2,1-2H3,(H,25,29)
InChIKeyGSIDKQAQXUGISF-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.21
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (PubChem CID 29278545) has the molecular formula C24H20N4O2S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
PubChem CID29278545
Molecular FormulaC24H20N4O2S2
Molecular Weight460.58 g/mol
Exact Mass460.10
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C24H20N4O2S2/c1-15-20(16(2)30-27-15)14-32-22-6-4-3-5-19(22)23(29)25-18-9-7-17(8-10-18)21-13-28-11-12-31-24(28)26-21/h3-13H,14H2,1-2H3,(H,25,29)
InChIKeyGSIDKQAQXUGISF-UHFFFAOYSA-N
XLogP6.21
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 31861495
N-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78776573
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-phenoxyphenyl)benzamide
CID 36709348
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 36653778
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 43020280
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 112771352
dimethyl 5-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55345944
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
CID 3254217
N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46531645
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4877017

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (CID 29278545) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The InChIKey is GSIDKQAQXUGISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S2/c1-15-20(16(2)30-27-15)14-32-22-6-4-3-5-19(22)23(29)25-18-9-7-17(8-10-18)21-13-28-11-12-31-24(28)26-21/h3-13H,14H2,1-2H3,(H,25,29).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide has a molecular weight of 460.58 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is sourced from PubChem (CID 29278545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).