methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate

C9H10N2O3S — CID 4662380

IUPACmethyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate
SMILESCOC(=O)C=c1sc2n(c1=O)CCCN=2
InChIInChI=1S/C9H10N2O3S/c1-14-7(12)5-6-8(13)11-4-2-3-10-9(11)15-6/h5H,2-4H2,1H3
InChIKeyYRTZRZPSXQMUEV-UHFFFAOYSA-N
MW226.26 g/mol
LogP-1.11
Rot. Bonds1

About methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate

methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate (PubChem CID 4662380) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate
PubChem CID4662380
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Namemethyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate
SMILESCOC(=O)C=c1sc2n(c1=O)CCCN=2
InChIInChI=1S/C9H10N2O3S/c1-14-7(12)5-6-8(13)11-4-2-3-10-9(11)15-6/h5H,2-4H2,1H3
InChIKeyYRTZRZPSXQMUEV-UHFFFAOYSA-N
XLogP-1.11
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate?
The IUPAC name of methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate (CID 4662380) is methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate.
What is the SMILES notation for methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate?
The canonical SMILES for methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate is COC(=O)C=c1sc2n(c1=O)CCCN=2.
What is the InChIKey of methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate?
The InChIKey is YRTZRZPSXQMUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-14-7(12)5-6-8(13)11-4-2-3-10-9(11)15-6/h5H,2-4H2,1H3.
What are the key properties of methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate?
methyl 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate has a molecular weight of 226.26 g/mol, XLogP of -1.11, 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-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate is sourced from PubChem (CID 4662380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).