3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one

C16H10N2OS — CID 71501415

IUPAC3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2sc3ccccc3c2cn1-c1ccccc1
InChIInChI=1S/C16H10N2OS/c19-16-17-15-13(12-8-4-5-9-14(12)20-15)10-18(16)11-6-2-1-3-7-11/h1-10H
InChIKeyUUKAOCZMRLRCFW-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.60
Rot. Bonds1

About 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one

3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one (PubChem CID 71501415) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one
PubChem CID71501415
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2sc3ccccc3c2cn1-c1ccccc1
InChIInChI=1S/C16H10N2OS/c19-16-17-15-13(12-8-4-5-9-14(12)20-15)10-18(16)11-6-2-1-3-7-11/h1-10H
InChIKeyUUKAOCZMRLRCFW-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
CID 645041
2-(chloromethyl)thiochromeno[2,3-b]pyridin-5-one
CID 59865592
2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one
CID 59865597
2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
CID 4860361
1-phenyl-[1]benzothiolo[2,3-d]pyrazole
CID 141025136
dibenzothiophene;9-phenylcarbazole
CID 142415981
dibenzothiophene;formaldehyde
CID 20556925
dibenzothiophene;methane
CID 162233710
2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
CID 2034964
2-phenyl-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 139214488
bis(dibenzothiophene);ethane
CID 143921746
3-(4-nitrophenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 4667584

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one (CID 71501415) is 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one is O=c1nc2sc3ccccc3c2cn1-c1ccccc1.
What is the InChIKey of 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one?
The InChIKey is UUKAOCZMRLRCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c19-16-17-15-13(12-8-4-5-9-14(12)20-15)10-18(16)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one?
3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one has a molecular weight of 278.34 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 71501415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).