7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H10N4OS — CID 42883900

IUPAC7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cn2cnc3ccccc32)nc2sccn12
InChIInChI=1S/C14H10N4OS/c19-13-7-10(16-14-18(13)5-6-20-14)8-17-9-15-11-3-1-2-4-12(11)17/h1-7,9H,8H2
InChIKeyHIGNONLNJUSDBK-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.15
Rot. Bonds2

About 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42883900) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID42883900
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cn2cnc3ccccc32)nc2sccn12
InChIInChI=1S/C14H10N4OS/c19-13-7-10(16-14-18(13)5-6-20-14)8-17-9-15-11-3-1-2-4-12(11)17/h1-7,9H,8H2
InChIKeyHIGNONLNJUSDBK-UHFFFAOYSA-N
XLogP2.15
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 42883900) is 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(Cn2cnc3ccccc32)nc2sccn12.
What is the InChIKey of 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HIGNONLNJUSDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c19-13-7-10(16-14-18(13)5-6-20-14)8-17-9-15-11-3-1-2-4-12(11)17/h1-7,9H,8H2.
What are the key properties of 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 282.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzimidazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42883900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).