3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one

C11H10N4O3S — CID 146082880

IUPAC3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1CCn1cnc2ccsc2c1=O
InChIInChI=1S/C11H10N4O3S/c1-7-13-18-11(17)15(7)4-3-14-6-12-8-2-5-19-9(8)10(14)16/h2,5-6H,3-4H2,1H3
InChIKeyNTJQXZOUWIJKSU-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.62
Rot. Bonds3

About 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one

3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one (PubChem CID 146082880) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one
PubChem CID146082880
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1CCn1cnc2ccsc2c1=O
InChIInChI=1S/C11H10N4O3S/c1-7-13-18-11(17)15(7)4-3-14-6-12-8-2-5-19-9(8)10(14)16/h2,5-6H,3-4H2,1H3
InChIKeyNTJQXZOUWIJKSU-UHFFFAOYSA-N
XLogP0.62
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide
CID 51317593
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 99775475
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
CID 116620736
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 39013477
3-[(E)-3-chloroprop-2-enyl]thieno[3,2-d]pyrimidin-4-one
CID 115575432
3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one
CID 106731636
3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
CID 62563421
3-[2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 95780007

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one (CID 146082880) is 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one is Cc1noc(=O)n1CCn1cnc2ccsc2c1=O.
What is the InChIKey of 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one?
The InChIKey is NTJQXZOUWIJKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-7-13-18-11(17)15(7)4-3-14-6-12-8-2-5-19-9(8)10(14)16/h2,5-6H,3-4H2,1H3.
What are the key properties of 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one?
3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one has a molecular weight of 278.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146082880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).