7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

C10H8N2OS — CID 67498830

IUPAC7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2sc3c(c12)C=CCC3
InChIInChI=1S/C10H8N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h1,3,5H,2,4H2,(H,11,12,13)
InChIKeySNZYWXLYHOMQIW-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.94
Rot. Bonds

About 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (PubChem CID 67498830) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
PubChem CID67498830
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2sc3c(c12)C=CCC3
InChIInChI=1S/C10H8N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h1,3,5H,2,4H2,(H,11,12,13)
InChIKeySNZYWXLYHOMQIW-UHFFFAOYSA-N
XLogP1.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CID 67498830) is 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2sc3c(c12)C=CCC3.
What is the InChIKey of 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The InChIKey is SNZYWXLYHOMQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h1,3,5H,2,4H2,(H,11,12,13).
What are the key properties of 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one has a molecular weight of 204.25 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 67498830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).