4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine

C18H11FN2S2 — CID 3700373

IUPAC4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine
SMILESFc1ccc(Sc2nc(-c3ccccc3)nc3ccsc23)cc1
InChIInChI=1S/C18H11FN2S2/c19-13-6-8-14(9-7-13)23-18-16-15(10-11-22-16)20-17(21-18)12-4-2-1-3-5-12/h1-11H
InChIKeyQDBAIKQPVRCRDF-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.65
Rot. Bonds3

About 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine

4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine (PubChem CID 3700373) has the molecular formula C18H11FN2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine
PubChem CID3700373
Molecular FormulaC18H11FN2S2
Molecular Weight338.43 g/mol
Exact Mass338.03
IUPAC Name4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine
SMILESFc1ccc(Sc2nc(-c3ccccc3)nc3ccsc23)cc1
InChIInChI=1S/C18H11FN2S2/c19-13-6-8-14(9-7-13)23-18-16-15(10-11-22-16)20-17(21-18)12-4-2-1-3-5-12/h1-11H
InChIKeyQDBAIKQPVRCRDF-UHFFFAOYSA-N
XLogP5.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine (CID 3700373) is 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine is Fc1ccc(Sc2nc(-c3ccccc3)nc3ccsc23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine?
The InChIKey is QDBAIKQPVRCRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2S2/c19-13-6-8-14(9-7-13)23-18-16-15(10-11-22-16)20-17(21-18)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine?
4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine has a molecular weight of 338.43 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-2-phenylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 3700373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).