N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C24H25N5O3S2 — CID 55462408

IUPACN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)cc2)CC1
InChIInChI=1S/C24H25N5O3S2/c1-27-11-13-28(14-12-27)34(31,32)21-9-7-19(8-10-21)25-23(30)15-20-17-33-24-26-22(16-29(20)24)18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3,(H,25,30)
InChIKeyPWSQHABVFJWKLZ-UHFFFAOYSA-N
MW495.63 g/mol
LogP3.18
Rot. Bonds6

About N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 55462408) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID55462408
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)cc2)CC1
InChIInChI=1S/C24H25N5O3S2/c1-27-11-13-28(14-12-27)34(31,32)21-9-7-19(8-10-21)25-23(30)15-20-17-33-24-26-22(16-29(20)24)18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3,(H,25,30)
InChIKeyPWSQHABVFJWKLZ-UHFFFAOYSA-N
XLogP3.18
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 39723703
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 43037352
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803389
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 40509494
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 121038525
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 121038273
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 121038392
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
N-(5-acetamido-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147870
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038694
N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 55462408) is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is PWSQHABVFJWKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-27-11-13-28(14-12-27)34(31,32)21-9-7-19(8-10-21)25-23(30)15-20-17-33-24-26-22(16-29(20)24)18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3,(H,25,30).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 495.63 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 55462408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).