5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole

C17H12FN3OS2 — CID 8845039

IUPAC5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1c(CSc2ncnc3sccc23)noc1-c1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS2/c1-10-14(21-22-15(10)11-2-4-12(18)5-3-11)8-24-17-13-6-7-23-16(13)19-9-20-17/h2-7,9H,8H2,1H3
InChIKeySVDHNSXPPMXKJO-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.09
Rot. Bonds4

About 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole

5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 8845039) has the molecular formula C17H12FN3OS2 and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
PubChem CID8845039
Molecular FormulaC17H12FN3OS2
Molecular Weight357.44 g/mol
Exact Mass357.04
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1c(CSc2ncnc3sccc23)noc1-c1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS2/c1-10-14(21-22-15(10)11-2-4-12(18)5-3-11)8-24-17-13-6-7-23-16(13)19-9-20-17/h2-7,9H,8H2,1H3
InChIKeySVDHNSXPPMXKJO-UHFFFAOYSA-N
XLogP5.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole (CID 8845039) is 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole is Cc1c(CSc2ncnc3sccc23)noc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is SVDHNSXPPMXKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS2/c1-10-14(21-22-15(10)11-2-4-12(18)5-3-11)8-24-17-13-6-7-23-16(13)19-9-20-17/h2-7,9H,8H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 357.44 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 8845039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).