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

C22H20N4O3S2 — CID 43037352

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C22H20N4O3S2/c27-21(23-17-7-4-8-19(11-17)31(28,29)25-16-9-10-16)12-18-14-30-22-24-20(13-26(18)22)15-5-2-1-3-6-15/h1-8,11,13-14,16,25H,9-10,12H2,(H,23,27)
InChIKeyVNCMTVMKXHRSQV-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.68
Rot. Bonds7

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

N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 43037352) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID43037352
Molecular FormulaC22H20N4O3S2
Molecular Weight452.56 g/mol
Exact Mass452.10
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C22H20N4O3S2/c27-21(23-17-7-4-8-19(11-17)31(28,29)25-16-9-10-16)12-18-14-30-22-24-20(13-26(18)22)15-5-2-1-3-6-15/h1-8,11,13-14,16,25H,9-10,12H2,(H,23,27)
InChIKeyVNCMTVMKXHRSQV-UHFFFAOYSA-N
XLogP3.68
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 43037352) is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is VNCMTVMKXHRSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c27-21(23-17-7-4-8-19(11-17)31(28,29)25-16-9-10-16)12-18-14-30-22-24-20(13-26(18)22)15-5-2-1-3-6-15/h1-8,11,13-14,16,25H,9-10,12H2,(H,23,27).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 452.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 43037352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).