N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide

C21H19N3O4S — CID 25232520

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2cn3ccsc3n2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4S/c1-26-17-10-13(11-18(27-2)19(17)28-3)20(25)22-15-7-5-4-6-14(15)16-12-24-8-9-29-21(24)23-16/h4-12H,1-3H3,(H,22,25)
InChIKeyCCWMWXVOZDAGEB-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.34
Rot. Bonds6

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 25232520) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID25232520
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2cn3ccsc3n2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4S/c1-26-17-10-13(11-18(27-2)19(17)28-3)20(25)22-15-7-5-4-6-14(15)16-12-24-8-9-29-21(24)23-16/h4-12H,1-3H3,(H,22,25)
InChIKeyCCWMWXVOZDAGEB-UHFFFAOYSA-N
XLogP4.34
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide (CID 25232520) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2-c2cn3ccsc3n2)cc(OC)c1OC.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is CCWMWXVOZDAGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-26-17-10-13(11-18(27-2)19(17)28-3)20(25)22-15-7-5-4-6-14(15)16-12-24-8-9-29-21(24)23-16/h4-12H,1-3H3,(H,22,25).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 409.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 25232520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).