2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole

C21H21N5S2 — CID 133476729

IUPAC2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1
InChIInChI=1S/C21H21N5S2/c1-15(21-22-7-13-28-21)25-8-10-26(11-9-25)20-17-4-2-3-5-18(17)23-19(24-20)16-6-12-27-14-16/h2-7,12-15H,8-11H2,1H3
InChIKeyXSRYVKGPWHHANY-UHFFFAOYSA-N
MW407.57 g/mol
LogP4.70
Rot. Bonds4

About 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476729) has the molecular formula C21H21N5S2 and a molecular weight of 407.57 g/mol. Its IUPAC name is 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476729
Molecular FormulaC21H21N5S2
Molecular Weight407.57 g/mol
Exact Mass407.12
IUPAC Name2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1
InChIInChI=1S/C21H21N5S2/c1-15(21-22-7-13-28-21)25-8-10-26(11-9-25)20-17-4-2-3-5-18(17)23-19(24-20)16-6-12-27-14-16/h2-7,12-15H,8-11H2,1H3
InChIKeyXSRYVKGPWHHANY-UHFFFAOYSA-N
XLogP4.70
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole 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 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476729) is 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1.
What is the InChIKey of 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is XSRYVKGPWHHANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5S2/c1-15(21-22-7-13-28-21)25-8-10-26(11-9-25)20-17-4-2-3-5-18(17)23-19(24-20)16-6-12-27-14-16/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 407.57 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).