methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate

C8H8N2O3S — CID 745470

IUPACmethyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
SMILESCOC(=O)/C=c1\sc2n(c1=O)CCN=2
InChIInChI=1S/C8H8N2O3S/c1-13-6(11)4-5-7(12)10-3-2-9-8(10)14-5/h4H,2-3H2,1H3/b5-4-
InChIKeyBANPZFXLXJBWEE-PLNGDYQASA-N
MW212.23 g/mol
LogP-1.50
Rot. Bonds1

About methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate

methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate (PubChem CID 745470) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
PubChem CID745470
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Namemethyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
SMILESCOC(=O)/C=c1\sc2n(c1=O)CCN=2
InChIInChI=1S/C8H8N2O3S/c1-13-6(11)4-5-7(12)10-3-2-9-8(10)14-5/h4H,2-3H2,1H3/b5-4-
InChIKeyBANPZFXLXJBWEE-PLNGDYQASA-N
XLogP-1.50
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate (CID 745470) is methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate is COC(=O)/C=c1\sc2n(c1=O)CCN=2.
What is the InChIKey of methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
The InChIKey is BANPZFXLXJBWEE-PLNGDYQASA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-13-6(11)4-5-7(12)10-3-2-9-8(10)14-5/h4H,2-3H2,1H3/b5-4-.
What are the key properties of methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate has a molecular weight of 212.23 g/mol, XLogP of -1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate is sourced from PubChem (CID 745470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).