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

C11H9N3OS2 — CID 47160423

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc(Cn2cnc3ccsc3c2=O)cs1
InChIInChI=1S/C11H9N3OS2/c1-7-13-8(5-17-7)4-14-6-12-9-2-3-16-10(9)11(14)15/h2-3,5-6H,4H2,1H3
InChIKeyKZBQQLWIDQRTLS-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.27
Rot. Bonds2

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

3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 47160423) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID47160423
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc(Cn2cnc3ccsc3c2=O)cs1
InChIInChI=1S/C11H9N3OS2/c1-7-13-8(5-17-7)4-14-6-12-9-2-3-16-10(9)11(14)15/h2-3,5-6H,4H2,1H3
InChIKeyKZBQQLWIDQRTLS-UHFFFAOYSA-N
XLogP2.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 47160423) is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is Cc1nc(Cn2cnc3ccsc3c2=O)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KZBQQLWIDQRTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c1-7-13-8(5-17-7)4-14-6-12-9-2-3-16-10(9)11(14)15/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 263.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 47160423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).