N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide

C15H15N3O2S — CID 3241775

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-4-2-11(3-5-13)8-14(19)16-9-12-10-18-6-7-21-15(18)17-12/h2-7,10H,8-9H2,1H3,(H,16,19)
InChIKeyJBYXFSKFYVSZAQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.26
Rot. Bonds5

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 3241775) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide
PubChem CID3241775
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-4-2-11(3-5-13)8-14(19)16-9-12-10-18-6-7-21-15(18)17-12/h2-7,10H,8-9H2,1H3,(H,16,19)
InChIKeyJBYXFSKFYVSZAQ-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide (CID 3241775) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2cn3ccsc3n2)cc1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is JBYXFSKFYVSZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-13-4-2-11(3-5-13)8-14(19)16-9-12-10-18-6-7-21-15(18)17-12/h2-7,10H,8-9H2,1H3,(H,16,19).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 301.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3241775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).