(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate

C14H12N2O5S — CID 42925805

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
SMILESCc1oc(CO)cc1C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H12N2O5S/c1-8-11(5-10(6-17)21-8)13(19)20-7-9-4-12(18)16-2-3-22-14(16)15-9/h2-5,17H,6-7H2,1H3
InChIKeyLWROXQVGQCCIJF-UHFFFAOYSA-N
MW320.33 g/mol
LogP1.51
Rot. Bonds4

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate (PubChem CID 42925805) has the molecular formula C14H12N2O5S and a molecular weight of 320.33 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
PubChem CID42925805
Molecular FormulaC14H12N2O5S
Molecular Weight320.33 g/mol
Exact Mass320.05
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
SMILESCc1oc(CO)cc1C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H12N2O5S/c1-8-11(5-10(6-17)21-8)13(19)20-7-9-4-12(18)16-2-3-22-14(16)15-9/h2-5,17H,6-7H2,1H3
InChIKeyLWROXQVGQCCIJF-UHFFFAOYSA-N
XLogP1.51
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2584441
CID 2584441
CID 7419422
CID 7419422
CID 7663507
CID 7663507
CID 42886537
CID 42886537
CID 42894982
CID 42894982
CID 42895738
CID 42895738
CID 42925806
CID 42925806

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate (CID 42925805) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate is Cc1oc(CO)cc1C(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
The InChIKey is LWROXQVGQCCIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S/c1-8-11(5-10(6-17)21-8)13(19)20-7-9-4-12(18)16-2-3-22-14(16)15-9/h2-5,17H,6-7H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate has a molecular weight of 320.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(hydroxymethyl)-2-methylfuran-3-carboxylate is sourced from PubChem (CID 42925805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).