N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C23H22N4O4S — CID 3244553

IUPACN-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(NC(C)=O)ccc4OC)sc3n2)cc1
InChIInChI=1S/C23H22N4O4S/c1-13-21(22(29)25-18-11-16(24-14(2)28)7-10-20(18)31-4)32-23-26-19(12-27(13)23)15-5-8-17(30-3)9-6-15/h5-12H,1-4H3,(H,24,28)(H,25,29)
InChIKeyQJNKZTORCNXNKK-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.60
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3244553) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3244553
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(NC(C)=O)ccc4OC)sc3n2)cc1
InChIInChI=1S/C23H22N4O4S/c1-13-21(22(29)25-18-11-16(24-14(2)28)7-10-20(18)31-4)32-23-26-19(12-27(13)23)15-5-8-17(30-3)9-6-15/h5-12H,1-4H3,(H,24,28)(H,25,29)
InChIKeyQJNKZTORCNXNKK-UHFFFAOYSA-N
XLogP4.60
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3244553) is N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(NC(C)=O)ccc4OC)sc3n2)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is QJNKZTORCNXNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-13-21(22(29)25-18-11-16(24-14(2)28)7-10-20(18)31-4)32-23-26-19(12-27(13)23)15-5-8-17(30-3)9-6-15/h5-12H,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3244553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).