3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one

C8H7N3OS — CID 115749780

IUPAC3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1Cc1nccs1
InChIInChI=1S/C8H7N3OS/c12-8-1-2-9-6-11(8)5-7-10-3-4-13-7/h1-4,6H,5H2
InChIKeyHWPKTINDLIZMIH-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.75
Rot. Bonds2

About 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one

3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one (PubChem CID 115749780) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one
PubChem CID115749780
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1Cc1nccs1
InChIInChI=1S/C8H7N3OS/c12-8-1-2-9-6-11(8)5-7-10-3-4-13-7/h1-4,6H,5H2
InChIKeyHWPKTINDLIZMIH-UHFFFAOYSA-N
XLogP0.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-thiazol-2-ylmethyl)imidazole-4-carbaldehyde
CID 66148041
1-(1,3-thiazol-2-ylmethyl)pyridin-4-one
CID 116622336
3-propylpyrimidin-4-one
CID 115679465
4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione
CID 63789062
2-oxo-1-(1,3-thiazol-2-ylmethyl)pyridine-3-carbothioamide
CID 107017936
3-[[2-(aminomethyl)-4-fluorophenyl]methyl]pyrimidin-4-one
CID 63769343
3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one
CID 63768858
3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 116622801
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
CID 115679490
3-butylpyrimidin-4-one
CID 115679478
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
CID 115679422
5-fluoro-2-[(6-oxopyrimidin-1-yl)methyl]benzoic acid
CID 55237238

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one (CID 115749780) is 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one is O=c1ccncn1Cc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one?
The InChIKey is HWPKTINDLIZMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c12-8-1-2-9-6-11(8)5-7-10-3-4-13-7/h1-4,6H,5H2.
What are the key properties of 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one?
3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one has a molecular weight of 193.23 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 115749780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).