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

C20H17N3O3S — CID 7151241

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1OC
InChIInChI=1S/C20H17N3O3S/c1-25-17-7-6-14(11-18(17)26-2)19(24)21-15-5-3-4-13(10-15)16-12-23-8-9-27-20(23)22-16/h3-12H,1-2H3,(H,21,24)
InChIKeyHTHIXVFAWRDIPL-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.33
Rot. Bonds5

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide (PubChem CID 7151241) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide
PubChem CID7151241
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1OC
InChIInChI=1S/C20H17N3O3S/c1-25-17-7-6-14(11-18(17)26-2)19(24)21-15-5-3-4-13(10-15)16-12-23-8-9-27-20(23)22-16/h3-12H,1-2H3,(H,21,24)
InChIKeyHTHIXVFAWRDIPL-UHFFFAOYSA-N
XLogP4.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-dimethoxybenzamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide (CID 7151241) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1OC.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide?
The InChIKey is HTHIXVFAWRDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-17-7-6-14(11-18(17)26-2)19(24)21-15-5-3-4-13(10-15)16-12-23-8-9-27-20(23)22-16/h3-12H,1-2H3,(H,21,24).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethoxybenzamide has a molecular weight of 379.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-dimethoxybenzamide is sourced from PubChem (CID 7151241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).