1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one

C10H12N2O2S — CID 115333077

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
SMILESCOCCC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C10H12N2O2S/c1-14-4-2-9(13)6-8-7-12-3-5-15-10(12)11-8/h3,5,7H,2,4,6H2,1H3
InChIKeyQKTQEEQTZIAYDO-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.54
Rot. Bonds5

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one

1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one (PubChem CID 115333077) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
PubChem CID115333077
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
SMILESCOCCC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C10H12N2O2S/c1-14-4-2-9(13)6-8-7-12-3-5-15-10(12)11-8/h3,5,7H,2,4,6H2,1H3
InChIKeyQKTQEEQTZIAYDO-UHFFFAOYSA-N
XLogP1.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146878
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116591105
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-amine
CID 115333521
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one
CID 105123036

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one (CID 115333077) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one is COCCC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one?
The InChIKey is QKTQEEQTZIAYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-14-4-2-9(13)6-8-7-12-3-5-15-10(12)11-8/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one?
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one has a molecular weight of 224.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one is sourced from PubChem (CID 115333077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).