(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate

C14H11N3O5S — CID 135690627

IUPAC(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccco1)OCc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C14H11N3O5S/c18-11(6-15-13(19)9-2-1-4-21-9)22-7-10-16-8-3-5-23-12(8)14(20)17-10/h1-5H,6-7H2,(H,15,19)(H,16,17,20)
InChIKeyPAHBSNXIAARWRX-UHFFFAOYSA-N
MW333.33 g/mol
LogP1.05
Rot. Bonds5

About (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate

(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate (PubChem CID 135690627) has the molecular formula C14H11N3O5S and a molecular weight of 333.33 g/mol. Its IUPAC name is (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate
PubChem CID135690627
Molecular FormulaC14H11N3O5S
Molecular Weight333.33 g/mol
Exact Mass333.04
IUPAC Name(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccco1)OCc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C14H11N3O5S/c18-11(6-15-13(19)9-2-1-4-21-9)22-7-10-16-8-3-5-23-12(8)14(20)17-10/h1-5H,6-7H2,(H,15,19)(H,16,17,20)
InChIKeyPAHBSNXIAARWRX-UHFFFAOYSA-N
XLogP1.05
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate?
The IUPAC name of (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate (CID 135690627) is (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate is O=C(CNC(=O)c1ccco1)OCc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate?
The InChIKey is PAHBSNXIAARWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S/c18-11(6-15-13(19)9-2-1-4-21-9)22-7-10-16-8-3-5-23-12(8)14(20)17-10/h1-5H,6-7H2,(H,15,19)(H,16,17,20).
What are the key properties of (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate?
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate has a molecular weight of 333.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 135690627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).