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

C24H20FN5S3 — CID 17395127

IUPAC5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(N4CCN(Cc5csc(-c6ccsc6)n5)CC4)c23)cc1
InChIInChI=1S/C24H20FN5S3/c25-18-3-1-16(2-4-18)20-14-33-24-21(20)22(26-15-27-24)30-8-6-29(7-9-30)11-19-13-32-23(28-19)17-5-10-31-12-17/h1-5,10,12-15H,6-9,11H2
InChIKeyJVNFVSDEUSTIFB-UHFFFAOYSA-N
MW493.66 g/mol
LogP6.00
Rot. Bonds5

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

5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 17395127) has the molecular formula C24H20FN5S3 and a molecular weight of 493.66 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID17395127
Molecular FormulaC24H20FN5S3
Molecular Weight493.66 g/mol
Exact Mass493.09
IUPAC Name5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(N4CCN(Cc5csc(-c6ccsc6)n5)CC4)c23)cc1
InChIInChI=1S/C24H20FN5S3/c25-18-3-1-16(2-4-18)20-14-33-24-21(20)22(26-15-27-24)30-8-6-29(7-9-30)11-19-13-32-23(28-19)17-5-10-31-12-17/h1-5,10,12-15H,6-9,11H2
InChIKeyJVNFVSDEUSTIFB-UHFFFAOYSA-N
XLogP6.00
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.66
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 17395127) is 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is Fc1ccc(-c2csc3ncnc(N4CCN(Cc5csc(-c6ccsc6)n5)CC4)c23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is JVNFVSDEUSTIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5S3/c25-18-3-1-16(2-4-18)20-14-33-24-21(20)22(26-15-27-24)30-8-6-29(7-9-30)11-19-13-32-23(28-19)17-5-10-31-12-17/h1-5,10,12-15H,6-9,11H2.
What are the key properties of 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 493.66 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 17395127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).