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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Related Compounds

3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47058114
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17490025
3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 51124152
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 24630191
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39014426
3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 18123502
N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39013506
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51280236
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 39013477
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17448867
3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943

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).