3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C14H9N3OS3 — CID 17490025

IUPAC3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H9N3OS3/c18-14-12-11(2-4-20-12)15-8-17(14)5-10-7-21-13(16-10)9-1-3-19-6-9/h1-4,6-8H,5H2
InChIKeyODUNRFRINWAMLW-UHFFFAOYSA-N
MW331.45 g/mol
LogP3.69
Rot. Bonds3

About 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 17490025) has the molecular formula C14H9N3OS3 and a molecular weight of 331.45 g/mol. Its IUPAC name is 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID17490025
Molecular FormulaC14H9N3OS3
Molecular Weight331.45 g/mol
Exact Mass330.99
IUPAC Name3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H9N3OS3/c18-14-12-11(2-4-20-12)15-8-17(14)5-10-7-21-13(16-10)9-1-3-19-6-9/h1-4,6-8H,5H2
InChIKeyODUNRFRINWAMLW-UHFFFAOYSA-N
XLogP3.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 17490025) is 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1Cc1csc(-c2ccsc2)n1.
What is the InChIKey of 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ODUNRFRINWAMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS3/c18-14-12-11(2-4-20-12)15-8-17(14)5-10-7-21-13(16-10)9-1-3-19-6-9/h1-4,6-8H,5H2.
What are the key properties of 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 331.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 17490025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).