5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole

C13H9N3OS2 — CID 155542190

IUPAC5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESc1csc(C2=NOC(c3cc4cncnc4s3)C2)c1
InChIInChI=1S/C13H9N3OS2/c1-2-11(18-3-1)9-5-10(17-16-9)12-4-8-6-14-7-15-13(8)19-12/h1-4,6-7,10H,5H2
InChIKeySPVJHVAEIUIKAW-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.62
Rot. Bonds2

About 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole

5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 155542190) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID155542190
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC Name5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESc1csc(C2=NOC(c3cc4cncnc4s3)C2)c1
InChIInChI=1S/C13H9N3OS2/c1-2-11(18-3-1)9-5-10(17-16-9)12-4-8-6-14-7-15-13(8)19-12/h1-4,6-7,10H,5H2
InChIKeySPVJHVAEIUIKAW-UHFFFAOYSA-N
XLogP3.62
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole with MolForge

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Related Compounds

5-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
3-Pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
CID 155560417
(3-Thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
CID 39826535
(2,6-Difluorophenyl)-[4-[[3-(hydroxymethyl)thiophen-2-yl]methyldiazenyl]thieno[2,3-d]pyrimidin-6-yl]methanol
CID 91396717
O-ethyl thieno[2,3-d]pyrimidine-6-carbothioate
CID 141028398
(2-Thiophen-2-ylthieno[2,3-d]pyrimidin-5-yl)methanol
CID 154458732
5-(Methoxymethyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 154458733
1-(2-Chlorothieno[2,3-d]pyrimidin-6-yl)-3-methoxycyclobutan-1-ol
CID 172542094
1-Phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol
CID 47117452
1-Phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 55410354
1-Thieno[2,3-d]pyrimidin-4-ylbutan-2-ol
CID 63201246
2-(6-Ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol
CID 63201261

Frequently Asked Questions

What is the IUPAC name of 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (CID 155542190) is 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is c1csc(C2=NOC(c3cc4cncnc4s3)C2)c1.
What is the InChIKey of 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is SPVJHVAEIUIKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c1-2-11(18-3-1)9-5-10(17-16-9)12-4-8-6-14-7-15-13(8)19-12/h1-4,6-7,10H,5H2.
What are the key properties of 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 287.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thieno[2,3-d]pyrimidin-6-yl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 155542190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).