3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H10N4O2S2 — CID 24577055

IUPAC3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3cnc4sccc4c3=O)cc(=O)n12
InChIInChI=1S/C14H10N4O2S2/c1-8-6-22-14-16-9(4-11(19)18(8)14)5-17-7-15-12-10(13(17)20)2-3-21-12/h2-4,6-7H,5H2,1H3
InChIKeyGDLXKZJWXRROSR-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.88
Rot. Bonds2

About 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 24577055) has the molecular formula C14H10N4O2S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID24577055
Molecular FormulaC14H10N4O2S2
Molecular Weight330.39 g/mol
Exact Mass330.02
IUPAC Name3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3cnc4sccc4c3=O)cc(=O)n12
InChIInChI=1S/C14H10N4O2S2/c1-8-6-22-14-16-9(4-11(19)18(8)14)5-17-7-15-12-10(13(17)20)2-3-21-12/h2-4,6-7H,5H2,1H3
InChIKeyGDLXKZJWXRROSR-UHFFFAOYSA-N
XLogP1.88
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 24578141
7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577851
3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 24576659
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38866791
6-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3-prop-2-enyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 92854108
3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 46678669
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 80656447
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 80663820
7-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17396980
3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 79251879
3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51120862
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38861852

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 24577055) is 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(Cn3cnc4sccc4c3=O)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GDLXKZJWXRROSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S2/c1-8-6-22-14-16-9(4-11(19)18(8)14)5-17-7-15-12-10(13(17)20)2-3-21-12/h2-4,6-7H,5H2,1H3.
What are the key properties of 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 330.39 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 24577055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).