3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C10H8N4OS2 — CID 79774558

IUPAC3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESNc1ncc(Cn2cnc3ccsc3c2=O)s1
InChIInChI=1S/C10H8N4OS2/c11-10-12-3-6(17-10)4-14-5-13-7-1-2-16-8(7)9(14)15/h1-3,5H,4H2,(H2,11,12)
InChIKeyUWDTYNVWNUAVBC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.54
Rot. Bonds2

About 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 79774558) has the molecular formula C10H8N4OS2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID79774558
Molecular FormulaC10H8N4OS2
Molecular Weight264.33 g/mol
Exact Mass264.01
IUPAC Name3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESNc1ncc(Cn2cnc3ccsc3c2=O)s1
InChIInChI=1S/C10H8N4OS2/c11-10-12-3-6(17-10)4-14-5-13-7-1-2-16-8(7)9(14)15/h1-3,5H,4H2,(H2,11,12)
InChIKeyUWDTYNVWNUAVBC-UHFFFAOYSA-N
XLogP1.54
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943
3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 64768870
3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 43509260
3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 62244842
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 39013477
3-[(E)-3-chloroprop-2-enyl]thieno[3,2-d]pyrimidin-4-one
CID 115575432
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 63316067
4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577775
3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 116620741

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 79774558) is 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one is Nc1ncc(Cn2cnc3ccsc3c2=O)s1.
What is the InChIKey of 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is UWDTYNVWNUAVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS2/c11-10-12-3-6(17-10)4-14-5-13-7-1-2-16-8(7)9(14)15/h1-3,5H,4H2,(H2,11,12).
What are the key properties of 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 264.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 79774558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).