5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione

C11H8N4O3S2 — CID 131860509

IUPAC5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CSc2nnc(-c3cccs3)o2)c(=O)[nH]1
InChIInChI=1S/C11H8N4O3S2/c16-8-6(4-12-10(17)13-8)5-20-11-15-14-9(18-11)7-2-1-3-19-7/h1-4H,5H2,(H2,12,13,16,17)
InChIKeyCTPMXVZHBIGEDB-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.47
Rot. Bonds4

About 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione

5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione (PubChem CID 131860509) has the molecular formula C11H8N4O3S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione
PubChem CID131860509
Molecular FormulaC11H8N4O3S2
Molecular Weight308.34 g/mol
Exact Mass308.00
IUPAC Name5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CSc2nnc(-c3cccs3)o2)c(=O)[nH]1
InChIInChI=1S/C11H8N4O3S2/c16-8-6(4-12-10(17)13-8)5-20-11-15-14-9(18-11)7-2-1-3-19-7/h1-4H,5H2,(H2,12,13,16,17)
InChIKeyCTPMXVZHBIGEDB-UHFFFAOYSA-N
XLogP1.47
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135690691
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
CID 35525962
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 18138266
N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 39531741
2-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 24626682
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 35526015
2-(4-nitrophenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 30777574
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8951232
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 24670825
1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 2592860
methyl 2,2-dimethyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 79629245

Frequently Asked Questions

What is the IUPAC name of 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione (CID 131860509) is 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CSc2nnc(-c3cccs3)o2)c(=O)[nH]1.
What is the InChIKey of 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CTPMXVZHBIGEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S2/c16-8-6(4-12-10(17)13-8)5-20-11-15-14-9(18-11)7-2-1-3-19-7/h1-4H,5H2,(H2,12,13,16,17).
What are the key properties of 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione?
5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 308.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 131860509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).