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

C21H16N6OS — CID 112827742

IUPAC2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C21H16N6OS/c28-20(23-17-8-4-5-9-19(17)27-11-10-22-25-27)12-16-14-29-21-24-18(13-26(16)21)15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,23,28)
InChIKeyYKGZMJBRCGCOFR-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.82
Rot. Bonds5

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

2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide (PubChem CID 112827742) has the molecular formula C21H16N6OS and a molecular weight of 400.47 g/mol. Its IUPAC name is 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
PubChem CID112827742
Molecular FormulaC21H16N6OS
Molecular Weight400.47 g/mol
Exact Mass400.11
IUPAC Name2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C21H16N6OS/c28-20(23-17-8-4-5-9-19(17)27-11-10-22-25-27)12-16-14-29-21-24-18(13-26(16)21)15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,23,28)
InChIKeyYKGZMJBRCGCOFR-UHFFFAOYSA-N
XLogP3.82
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 78865083
N-(2-methyl-5-methylsulfonylphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 34194468
N-(8-methylquinolin-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 38281701
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 39723703
N-(5-chloro-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522499
N-naphthalen-1-yl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939336
N-(2-cyanophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038239
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605
N-(5-acetamido-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147870
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 39724030
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 34277605

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide (CID 112827742) is 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide is O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1-n1ccnn1.
What is the InChIKey of 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide?
The InChIKey is YKGZMJBRCGCOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6OS/c28-20(23-17-8-4-5-9-19(17)27-11-10-22-25-27)12-16-14-29-21-24-18(13-26(16)21)15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,23,28).
What are the key properties of 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide?
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide has a molecular weight of 400.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 112827742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).