2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol

C18H19FN4OS — CID 1164759

IUPAC2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C18H19FN4OS/c19-14-3-1-13(2-4-14)15-11-25-18-16(15)17(20-12-21-18)23-7-5-22(6-8-23)9-10-24/h1-4,11-12,24H,5-10H2
InChIKeyVNOOJQARAKAQEH-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 1164759) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID1164759
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C18H19FN4OS/c19-14-3-1-13(2-4-14)15-11-25-18-16(15)17(20-12-21-18)23-7-5-22(6-8-23)9-10-24/h1-4,11-12,24H,5-10H2
InChIKeyVNOOJQARAKAQEH-UHFFFAOYSA-N
XLogP2.61
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol 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-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 1164759) is 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1.
What is the InChIKey of 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is VNOOJQARAKAQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c19-14-3-1-13(2-4-14)15-11-25-18-16(15)17(20-12-21-18)23-7-5-22(6-8-23)9-10-24/h1-4,11-12,24H,5-10H2.
What are the key properties of 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 358.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 1164759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).