2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one

C14H12ClN3OS — CID 118724084

IUPAC2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2ccccc2Cl)nc2ccsc2c1=O
InChIInChI=1S/C14H12ClN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyARIOWMVIGYEMAF-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one

2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118724084) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one
PubChem CID118724084
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2ccccc2Cl)nc2ccsc2c1=O
InChIInChI=1S/C14H12ClN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyARIOWMVIGYEMAF-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloroanilino)-3-ethylthieno[3,2-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 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one (CID 118724084) is 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one is CCn1c(Nc2ccccc2Cl)nc2ccsc2c1=O.
What is the InChIKey of 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is ARIOWMVIGYEMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 305.79 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-3-ethylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118724084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).