methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate

C9H10N2O3S — CID 115332918

IUPACmethyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
SMILESCOC(=O)C(O)Cc1cn2ccsc2n1
InChIInChI=1S/C9H10N2O3S/c1-14-8(13)7(12)4-6-5-11-2-3-15-9(11)10-6/h2-3,5,7,12H,4H2,1H3
InChIKeyFLGIOFRDIWKZIV-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.47
Rot. Bonds3

About methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate

methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate (PubChem CID 115332918) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
PubChem CID115332918
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Namemethyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
SMILESCOC(=O)C(O)Cc1cn2ccsc2n1
InChIInChI=1S/C9H10N2O3S/c1-14-8(13)7(12)4-6-5-11-2-3-15-9(11)10-6/h2-3,5,7,12H,4H2,1H3
InChIKeyFLGIOFRDIWKZIV-UHFFFAOYSA-N
XLogP0.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-chloro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)propanoate
CID 103491939
1-imidazo[2,1-b][1,3]thiazol-6-yl-5-methoxyhexan-2-ol
CID 105120395
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
CID 115333257
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-amine
CID 115333521
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonylpropan-2-ol
CID 115828305
(1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-yl)hydrazine
CID 105206256
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
1-(dimethylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115333340
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 115333283
1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332851
(1-ethoxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)hydrazine
CID 105235209

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate (CID 115332918) is methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate is COC(=O)C(O)Cc1cn2ccsc2n1.
What is the InChIKey of methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate?
The InChIKey is FLGIOFRDIWKZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-14-8(13)7(12)4-6-5-11-2-3-15-9(11)10-6/h2-3,5,7,12H,4H2,1H3.
What are the key properties of methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate?
methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate has a molecular weight of 226.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate is sourced from PubChem (CID 115332918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).