2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C21H19N3O3S — CID 134795965

IUPAC2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(-c2cn3cc(C(=O)NCc4cccc(OC)c4)nc3s2)cc1
InChIInChI=1S/C21H19N3O3S/c1-26-16-8-6-15(7-9-16)19-13-24-12-18(23-21(24)28-19)20(25)22-11-14-4-3-5-17(10-14)27-2/h3-10,12-13H,11H2,1-2H3,(H,22,25)
InChIKeyDBMUBAWBBBLXJT-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.01
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134795965) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134795965
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(-c2cn3cc(C(=O)NCc4cccc(OC)c4)nc3s2)cc1
InChIInChI=1S/C21H19N3O3S/c1-26-16-8-6-15(7-9-16)19-13-24-12-18(23-21(24)28-19)20(25)22-11-14-4-3-5-17(10-14)27-2/h3-10,12-13H,11H2,1-2H3,(H,22,25)
InChIKeyDBMUBAWBBBLXJT-UHFFFAOYSA-N
XLogP4.01
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796452
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799938
N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795851
N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800167
2-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799413
N-[(3-chlorophenyl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799600
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
N-[(3,4-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798964
N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796025

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134795965) is 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1ccc(-c2cn3cc(C(=O)NCc4cccc(OC)c4)nc3s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is DBMUBAWBBBLXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-26-16-8-6-15(7-9-16)19-13-24-12-18(23-21(24)28-19)20(25)22-11-14-4-3-5-17(10-14)27-2/h3-10,12-13H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134795965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).