5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C22H18F2N4S — CID 16553323

IUPAC5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(N4CCN(c5ccc(F)cc5)CC4)c23)cc1
InChIInChI=1S/C22H18F2N4S/c23-16-3-1-15(2-4-16)19-13-29-22-20(19)21(25-14-26-22)28-11-9-27(10-12-28)18-7-5-17(24)6-8-18/h1-8,13-14H,9-12H2
InChIKeyTYVRZXFCVILCKZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.96
Rot. Bonds3

About 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 16553323) has the molecular formula C22H18F2N4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID16553323
Molecular FormulaC22H18F2N4S
Molecular Weight408.48 g/mol
Exact Mass408.12
IUPAC Name5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(N4CCN(c5ccc(F)cc5)CC4)c23)cc1
InChIInChI=1S/C22H18F2N4S/c23-16-3-1-15(2-4-16)19-13-29-22-20(19)21(25-14-26-22)28-11-9-27(10-12-28)18-7-5-17(24)6-8-18/h1-8,13-14H,9-12H2
InChIKeyTYVRZXFCVILCKZ-UHFFFAOYSA-N
XLogP4.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 16553323) is 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is Fc1ccc(-c2csc3ncnc(N4CCN(c5ccc(F)cc5)CC4)c23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is TYVRZXFCVILCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4S/c23-16-3-1-15(2-4-16)19-13-29-22-20(19)21(25-14-26-22)28-11-9-27(10-12-28)18-7-5-17(24)6-8-18/h1-8,13-14H,9-12H2.
What are the key properties of 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 408.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 16553323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).