6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine

C19H13FN2S2 — CID 118520700

IUPAC6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine
SMILESCc1ccc(Sc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1
InChIInChI=1S/C19H13FN2S2/c1-12-2-8-15(9-3-12)23-19-18-16(21-11-22-19)10-17(24-18)13-4-6-14(20)7-5-13/h2-11H,1H3
InChIKeySXRNZFXGDUWHDH-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.96
Rot. Bonds3

About 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine

6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine (PubChem CID 118520700) has the molecular formula C19H13FN2S2 and a molecular weight of 352.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine
PubChem CID118520700
Molecular FormulaC19H13FN2S2
Molecular Weight352.46 g/mol
Exact Mass352.05
IUPAC Name6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine
SMILESCc1ccc(Sc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1
InChIInChI=1S/C19H13FN2S2/c1-12-2-8-15(9-3-12)23-19-18-16(21-11-22-19)10-17(24-18)13-4-6-14(20)7-5-13/h2-11H,1H3
InChIKeySXRNZFXGDUWHDH-UHFFFAOYSA-N
XLogP5.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine (CID 118520700) is 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine is Cc1ccc(Sc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine?
The InChIKey is SXRNZFXGDUWHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2S2/c1-12-2-8-15(9-3-12)23-19-18-16(21-11-22-19)10-17(24-18)13-4-6-14(20)7-5-13/h2-11H,1H3.
What are the key properties of 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine?
6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine has a molecular weight of 352.46 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 118520700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).