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

C21H19N3O4S — CID 1298854

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4S/c1-26-17-10-14(11-18(27-2)19(17)28-3)20(25)22-15-6-4-5-13(9-15)16-12-24-7-8-29-21(24)23-16/h4-12H,1-3H3,(H,22,25)
InChIKeyPLOYRHDGNOAXLJ-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.34
Rot. Bonds6

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 1298854) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID1298854
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4S/c1-26-17-10-14(11-18(27-2)19(17)28-3)20(25)22-15-6-4-5-13(9-15)16-12-24-7-8-29-21(24)23-16/h4-12H,1-3H3,(H,22,25)
InChIKeyPLOYRHDGNOAXLJ-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-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide (CID 1298854) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is PLOYRHDGNOAXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-26-17-10-14(11-18(27-2)19(17)28-3)20(25)22-15-6-4-5-13(9-15)16-12-24-7-8-29-21(24)23-16/h4-12H,1-3H3,(H,22,25).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide?
N-(3-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-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1298854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).