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

C21H19N3O2S — CID 7522497

IUPACN-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1
InChIInChI=1S/C21H19N3O2S/c1-26-18-9-5-6-15(10-18)12-22-20(25)11-17-14-27-21-23-19(13-24(17)21)16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,22,25)
InChIKeyPPXRQTYXLZCDAZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.93
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 7522497) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID7522497
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1
InChIInChI=1S/C21H19N3O2S/c1-26-18-9-5-6-15(10-18)12-22-20(25)11-17-14-27-21-23-19(13-24(17)21)16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,22,25)
InChIKeyPPXRQTYXLZCDAZ-UHFFFAOYSA-N
XLogP3.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 7522497) is N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is COc1cccc(CNC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is PPXRQTYXLZCDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-26-18-9-5-6-15(10-18)12-22-20(25)11-17-14-27-21-23-19(13-24(17)21)16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 7522497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).