N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C22H22N4O3S2 — CID 17485366

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C22H22N4O3S2/c1-23-31(28,29)15-17-9-7-16(8-10-17)12-24-21(27)11-19-14-30-22-25-20(13-26(19)22)18-5-3-2-4-6-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,24,27)
InChIKeyJFCMBJWSWZJLGX-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.97
Rot. Bonds8

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 17485366) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID17485366
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C22H22N4O3S2/c1-23-31(28,29)15-17-9-7-16(8-10-17)12-24-21(27)11-19-14-30-22-25-20(13-26(19)22)18-5-3-2-4-6-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,24,27)
InChIKeyJFCMBJWSWZJLGX-UHFFFAOYSA-N
XLogP2.97
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 17485366) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is CNS(=O)(=O)Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is JFCMBJWSWZJLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S2/c1-23-31(28,29)15-17-9-7-16(8-10-17)12-24-21(27)11-19-14-30-22-25-20(13-26(19)22)18-5-3-2-4-6-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,24,27).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 454.58 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 17485366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).