7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H10N4O2S — CID 7628275

IUPAC7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c2ccccc2ncn1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H10N4O2S/c20-13-7-10(17-15-19(13)5-6-22-15)8-18-9-16-12-4-2-1-3-11(12)14(18)21/h1-7,9H,8H2
InChIKeyJNBLGIYJFIAKAC-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.51
Rot. Bonds2

About 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 7628275) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID7628275
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c2ccccc2ncn1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H10N4O2S/c20-13-7-10(17-15-19(13)5-6-22-15)8-18-9-16-12-4-2-1-3-11(12)14(18)21/h1-7,9H,8H2
InChIKeyJNBLGIYJFIAKAC-UHFFFAOYSA-N
XLogP1.51
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 7628275) is 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c2ccccc2ncn1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JNBLGIYJFIAKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S/c20-13-7-10(17-15-19(13)5-6-22-15)8-18-9-16-12-4-2-1-3-11(12)14(18)21/h1-7,9H,8H2.
What are the key properties of 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 310.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 7628275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).