2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone

C13H11N3OS — CID 105123048

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2cn3ccsc3n2)cn1
InChIInChI=1S/C13H11N3OS/c1-9-2-3-10(7-14-9)12(17)6-11-8-16-4-5-18-13(16)15-11/h2-5,7-8H,6H2,1H3
InChIKeyOWAAKVCQZXVPQV-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.52
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 105123048) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID105123048
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2cn3ccsc3n2)cn1
InChIInChI=1S/C13H11N3OS/c1-9-2-3-10(7-14-9)12(17)6-11-8-16-4-5-18-13(16)15-11/h2-5,7-8H,6H2,1H3
InChIKeyOWAAKVCQZXVPQV-UHFFFAOYSA-N
XLogP2.52
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone
CID 113289114
1-(3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791953
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
1-(4-chloro-3-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 107996572
1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289105
1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116609986
2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105123749
1-(2,3-dihydro-1H-indol-6-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116612096
[2-(4-methoxyphenyl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3595564
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792047

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone (CID 105123048) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(C(=O)Cc2cn3ccsc3n2)cn1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is OWAAKVCQZXVPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-9-2-3-10(7-14-9)12(17)6-11-8-16-4-5-18-13(16)15-11/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 257.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105123048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).