N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C14H11N3OS2 — CID 4148380

IUPACN-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)Nc1ccccc1
InChIInChI=1S/C14H11N3OS2/c18-12(17-10-4-2-1-3-5-10)8-20-14-11-6-7-19-13(11)15-9-16-14/h1-7,9H,8H2,(H,17,18)
InChIKeyLNRNCGLMKPIBBD-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.42
Rot. Bonds4

About N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 4148380) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID4148380
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)Nc1ccccc1
InChIInChI=1S/C14H11N3OS2/c18-12(17-10-4-2-1-3-5-10)8-20-14-11-6-7-19-13(11)15-9-16-14/h1-7,9H,8H2,(H,17,18)
InChIKeyLNRNCGLMKPIBBD-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 4148380) is N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2sccc12)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is LNRNCGLMKPIBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-12(17-10-4-2-1-3-5-10)8-20-14-11-6-7-19-13(11)15-9-16-14/h1-7,9H,8H2,(H,17,18).
What are the key properties of N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 301.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 4148380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).