N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

C14H10FN3OS2 — CID 18123722

IUPACN-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)Nc1ccccc1F
InChIInChI=1S/C14H10FN3OS2/c15-9-3-1-2-4-10(9)18-12(19)7-21-14-13-11(5-6-20-13)16-8-17-14/h1-6,8H,7H2,(H,18,19)
InChIKeyRERCOQBJUJLXLG-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.56
Rot. Bonds4

About N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 18123722) has the molecular formula C14H10FN3OS2 and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID18123722
Molecular FormulaC14H10FN3OS2
Molecular Weight319.39 g/mol
Exact Mass319.02
IUPAC NameN-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)Nc1ccccc1F
InChIInChI=1S/C14H10FN3OS2/c15-9-3-1-2-4-10(9)18-12(19)7-21-14-13-11(5-6-20-13)16-8-17-14/h1-6,8H,7H2,(H,18,19)
InChIKeyRERCOQBJUJLXLG-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide 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 N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 18123722) is N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccsc12)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is RERCOQBJUJLXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS2/c15-9-3-1-2-4-10(9)18-12(19)7-21-14-13-11(5-6-20-13)16-8-17-14/h1-6,8H,7H2,(H,18,19).
What are the key properties of N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 319.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 18123722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).