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

C8H8N2O3S — CID 659674

IUPACmethyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
SMILESCOC(=O)C=c1sc2n(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
InChIKeyBANPZFXLXJBWEE-UHFFFAOYSA-N
MW212.23 g/mol
LogP-1.50
Rot. Bonds1

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

methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate (PubChem CID 659674) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
PubChem CID659674
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Namemethyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
SMILESCOC(=O)C=c1sc2n(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
InChIKeyBANPZFXLXJBWEE-UHFFFAOYSA-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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Related Compounds

ethyl (3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)acetate
CID 745472
(E)-methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2(3H)-ylidene)acetate
CID 745469
methyl 3-ethyl-2-(ethylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
CID 1518670
methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
CID 3244870
methyl (2Z)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)ethanoate
CID 745470
Methyl 5-oxo-2,3-dihydro-5H-imidazo(2,1-b)(1,3)thiazine-7-carboxylate
CID 332464
[3-Methyl-2-[(e)-methylimino]-4-oxo-thiazolidin-(5z)-ylidene]-acetic acid methyl ester
CID 12704052
methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 139234608
methyl (2Z)-2-[3-[2-[(5Z)-5-(2-methoxy-2-oxoethylidene)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-3-yl]ethyl]-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-ylidene]acetate
CID 139234609
Methyl (z)-2-((e)-3-isobutyl-2-(isobutylimino)-4-oxothia zolidin-5-ylidene)acetate
CID 172677948
Ethyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
CID 659719
ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
CID 745471

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
The IUPAC name of methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate (CID 659674) is methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate.
What is the SMILES notation for methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
The canonical SMILES for methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate is COC(=O)C=c1sc2n(c1=O)CCN=2.
What is the InChIKey of methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
The InChIKey is BANPZFXLXJBWEE-UHFFFAOYSA-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.
What are the key properties of methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
methyl 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 2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate is sourced from PubChem (CID 659674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).