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

C13H11N3OS — CID 113289114

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H11N3OS/c1-9-3-2-4-14-12(9)11(17)7-10-8-16-5-6-18-13(16)15-10/h2-6,8H,7H2,1H3
InChIKeyOODSIJPHCMWUHR-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.52
Rot. Bonds3

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

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone (PubChem CID 113289114) 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-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone
PubChem CID113289114
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H11N3OS/c1-9-3-2-4-14-12(9)11(17)7-10-8-16-5-6-18-13(16)15-10/h2-6,8H,7H2,1H3
InChIKeyOODSIJPHCMWUHR-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-(6-methyl-3-pyridinyl)ethanone
CID 105123048
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-methoxy-4-methylphenyl)ethanone
CID 115792064
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209127
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289105
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 31670556
1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116577576
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
1-(3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791953

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone (CID 113289114) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone is Cc1cccnc1C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is OODSIJPHCMWUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-9-3-2-4-14-12(9)11(17)7-10-8-16-5-6-18-13(16)15-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-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-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 113289114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).