2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole

C21H23N7S — CID 133272950

IUPAC2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cs1
InChIInChI=1S/C21H23N7S/c1-2-19-24-17(14-29-19)13-26-8-10-27(11-9-26)20-12-18(16-6-4-3-5-7-16)25-21-22-15-23-28(20)21/h3-7,12,14-15H,2,8-11,13H2,1H3
InChIKeyKTUASAATGVREHD-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.13
Rot. Bonds5

About 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 133272950) has the molecular formula C21H23N7S and a molecular weight of 405.53 g/mol. Its IUPAC name is 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID133272950
Molecular FormulaC21H23N7S
Molecular Weight405.53 g/mol
Exact Mass405.17
IUPAC Name2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cs1
InChIInChI=1S/C21H23N7S/c1-2-19-24-17(14-29-19)13-26-8-10-27(11-9-26)20-12-18(16-6-4-3-5-7-16)25-21-22-15-23-28(20)21/h3-7,12,14-15H,2,8-11,13H2,1H3
InChIKeyKTUASAATGVREHD-UHFFFAOYSA-N
XLogP3.13
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-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-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 133272950) is 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole is CCc1nc(CN2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cs1.
What is the InChIKey of 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KTUASAATGVREHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7S/c1-2-19-24-17(14-29-19)13-26-8-10-27(11-9-26)20-12-18(16-6-4-3-5-7-16)25-21-22-15-23-28(20)21/h3-7,12,14-15H,2,8-11,13H2,1H3.
What are the key properties of 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 405.53 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 133272950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).