2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C19H15FN4O2S2 — CID 24604116

IUPAC2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)on1
InChIInChI=1S/C19H15FN4O2S2/c1-10-7-15(26-24-10)23-17(25)11(2)28-19-16-14(8-27-18(16)21-9-22-19)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,23,25)
InChIKeyQTXHRILORXOMRB-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.91
Rot. Bonds5

About 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 24604116) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID24604116
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)on1
InChIInChI=1S/C19H15FN4O2S2/c1-10-7-15(26-24-10)23-17(25)11(2)28-19-16-14(8-27-18(16)21-9-22-19)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,23,25)
InChIKeyQTXHRILORXOMRB-UHFFFAOYSA-N
XLogP4.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 24604116) is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)C(C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)on1.
What is the InChIKey of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is QTXHRILORXOMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-10-7-15(26-24-10)23-17(25)11(2)28-19-16-14(8-27-18(16)21-9-22-19)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,23,25).
What are the key properties of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 414.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 24604116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).