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

C22H20N4O3S — CID 43953467

IUPACN-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1sc2nc(-c3ccccc3)cn2c1C
InChIInChI=1S/C22H20N4O3S/c1-13-20(30-22-25-18(12-26(13)22)15-7-5-4-6-8-15)21(28)24-17-11-16(23-14(2)27)9-10-19(17)29-3/h4-12H,1-3H3,(H,23,27)(H,24,28)
InChIKeyLCXDBFHLWFXDEG-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.59
Rot. Bonds5

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

N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 43953467) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID43953467
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1sc2nc(-c3ccccc3)cn2c1C
InChIInChI=1S/C22H20N4O3S/c1-13-20(30-22-25-18(12-26(13)22)15-7-5-4-6-8-15)21(28)24-17-11-16(23-14(2)27)9-10-19(17)29-3/h4-12H,1-3H3,(H,23,27)(H,24,28)
InChIKeyLCXDBFHLWFXDEG-UHFFFAOYSA-N
XLogP4.59
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 43953467) is N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1sc2nc(-c3ccccc3)cn2c1C.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is LCXDBFHLWFXDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-13-20(30-22-25-18(12-26(13)22)15-7-5-4-6-8-15)21(28)24-17-11-16(23-14(2)27)9-10-19(17)29-3/h4-12H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 43953467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).