3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol

C17H10ClN3OS — CID 24855052

IUPAC3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccncc3Cl)c3sccc3n2)c1
InChIInChI=1S/C17H10ClN3OS/c18-13-9-19-6-4-12(13)15-16-14(5-7-23-16)20-17(21-15)10-2-1-3-11(22)8-10/h1-9,22H
InChIKeyVYMJBVGKMZUUBO-UHFFFAOYSA-N
MW339.81 g/mol
LogP4.78
Rot. Bonds2

About 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol

3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 24855052) has the molecular formula C17H10ClN3OS and a molecular weight of 339.81 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol
PubChem CID24855052
Molecular FormulaC17H10ClN3OS
Molecular Weight339.81 g/mol
Exact Mass339.02
IUPAC Name3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccncc3Cl)c3sccc3n2)c1
InChIInChI=1S/C17H10ClN3OS/c18-13-9-19-6-4-12(13)15-16-14(5-7-23-16)20-17(21-15)10-2-1-3-11(22)8-10/h1-9,22H
InChIKeyVYMJBVGKMZUUBO-UHFFFAOYSA-N
XLogP4.78
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.81
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol 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 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol (CID 24855052) is 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol is Oc1cccc(-c2nc(-c3ccncc3Cl)c3sccc3n2)c1.
What is the InChIKey of 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is VYMJBVGKMZUUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3OS/c18-13-9-19-6-4-12(13)15-16-14(5-7-23-16)20-17(21-15)10-2-1-3-11(22)8-10/h1-9,22H.
What are the key properties of 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 339.81 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 24855052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).