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

C15H12N4OS — CID 71624974

IUPAC7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3cnc4ccccc43)cc(=O)n12
InChIInChI=1S/C15H12N4OS/c1-10-8-21-15-17-11(6-14(20)19(10)15)7-18-9-16-12-4-2-3-5-13(12)18/h2-6,8-9H,7H2,1H3
InChIKeyWPZUSFYGLUBVTE-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.46
Rot. Bonds2

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

7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 71624974) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID71624974
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3cnc4ccccc43)cc(=O)n12
InChIInChI=1S/C15H12N4OS/c1-10-8-21-15-17-11(6-14(20)19(10)15)7-18-9-16-12-4-2-3-5-13(12)18/h2-6,8-9H,7H2,1H3
InChIKeyWPZUSFYGLUBVTE-UHFFFAOYSA-N
XLogP2.46
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.46
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)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 71624974) is 7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(Cn3cnc4ccccc43)cc(=O)n12.
What is the InChIKey of 7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WPZUSFYGLUBVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-10-8-21-15-17-11(6-14(20)19(10)15)7-18-9-16-12-4-2-3-5-13(12)18/h2-6,8-9H,7H2,1H3.
What are the key properties of 7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(benzimidazol-1-ylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 296.36 g/mol, XLogP of 2.46, 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)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 71624974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).