(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

C16H11N3O3S3 — CID 8882872

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
SMILESO=C(CSc1ncnc2sccc12)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C16H11N3O3S3/c20-14(8-25-16-11-3-5-24-15(11)17-9-18-16)21-7-10-6-12(22-19-10)13-2-1-4-23-13/h1-6,9H,7-8H2
InChIKeyTVEPPQNRHSHWCK-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.24
Rot. Bonds6

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate (PubChem CID 8882872) has the molecular formula C16H11N3O3S3 and a molecular weight of 389.48 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
PubChem CID8882872
Molecular FormulaC16H11N3O3S3
Molecular Weight389.48 g/mol
Exact Mass389.00
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
SMILESO=C(CSc1ncnc2sccc12)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C16H11N3O3S3/c20-14(8-25-16-11-3-5-24-15(11)17-9-18-16)21-7-10-6-12(22-19-10)13-2-1-4-23-13/h1-6,9H,7-8H2
InChIKeyTVEPPQNRHSHWCK-UHFFFAOYSA-N
XLogP4.24
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742545
2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 24518916
(4-oxo-4-thiophen-2-ylbutyl) 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735604
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735658
phenacyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742490
(4-nitrophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7736073
[2-(dimethylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735649
2-(3-methylphenoxy)ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735582
[2-(3-fluorophenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 8676488
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985279
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 8749702
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate
CID 8972367

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate (CID 8882872) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate is O=C(CSc1ncnc2sccc12)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The InChIKey is TVEPPQNRHSHWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S3/c20-14(8-25-16-11-3-5-24-15(11)17-9-18-16)21-7-10-6-12(22-19-10)13-2-1-4-23-13/h1-6,9H,7-8H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate has a molecular weight of 389.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate is sourced from PubChem (CID 8882872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).