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

C18H13FN4O2S2 — CID 16600817

IUPAC2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)on1
InChIInChI=1S/C18H13FN4O2S2/c1-10-6-15(25-23-10)22-14(24)8-27-18-16-13(7-26-17(16)20-9-21-18)11-2-4-12(19)5-3-11/h2-7,9H,8H2,1H3,(H,22,24)
InChIKeyOBEVXESFRIDIAW-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.52
Rot. Bonds5

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

2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 16600817) has the molecular formula C18H13FN4O2S2 and a molecular weight of 400.46 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)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID16600817
Molecular FormulaC18H13FN4O2S2
Molecular Weight400.46 g/mol
Exact Mass400.05
IUPAC Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)on1
InChIInChI=1S/C18H13FN4O2S2/c1-10-6-15(25-23-10)22-14(24)8-27-18-16-13(7-26-17(16)20-9-21-18)11-2-4-12(19)5-3-11/h2-7,9H,8H2,1H3,(H,22,24)
InChIKeyOBEVXESFRIDIAW-UHFFFAOYSA-N
XLogP4.52
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.52
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)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 16600817) is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
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)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CSc2ncnc3scc(-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)acetamide?
The InChIKey is OBEVXESFRIDIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S2/c1-10-6-15(25-23-10)22-14(24)8-27-18-16-13(7-26-17(16)20-9-21-18)11-2-4-12(19)5-3-11/h2-7,9H,8H2,1H3,(H,22,24).
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)acetamide?
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 4.52, 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)acetamide is sourced from PubChem (CID 16600817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).