4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine

C19H12ClFN2S2 — CID 7674140

IUPAC4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
SMILESFc1cccc(Cl)c1CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H12ClFN2S2/c20-15-7-4-8-16(21)14(15)10-24-18-13-9-17(12-5-2-1-3-6-12)25-19(13)23-11-22-18/h1-9,11H,10H2
InChIKeyQGXSGVNXQYIPGQ-UHFFFAOYSA-N
MW386.90 g/mol
LogP6.44
Rot. Bonds4

About 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine

4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 7674140) has the molecular formula C19H12ClFN2S2 and a molecular weight of 386.90 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
PubChem CID7674140
Molecular FormulaC19H12ClFN2S2
Molecular Weight386.90 g/mol
Exact Mass386.01
IUPAC Name4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
SMILESFc1cccc(Cl)c1CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H12ClFN2S2/c20-15-7-4-8-16(21)14(15)10-24-18-13-9-17(12-5-2-1-3-6-12)25-19(13)23-11-22-18/h1-9,11H,10H2
InChIKeyQGXSGVNXQYIPGQ-UHFFFAOYSA-N
XLogP6.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine (CID 7674140) is 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine is Fc1cccc(Cl)c1CSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is QGXSGVNXQYIPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2S2/c20-15-7-4-8-16(21)14(15)10-24-18-13-9-17(12-5-2-1-3-6-12)25-19(13)23-11-22-18/h1-9,11H,10H2.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine?
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 386.90 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 7674140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).