5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C18H23N5O2S — CID 4652294

IUPAC5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccccc3)N3CCN(CCO)CC3)c(O)n2n1
InChIInChI=1S/C18H23N5O2S/c1-13-19-18-23(20-13)17(25)16(26-18)15(14-5-3-2-4-6-14)22-9-7-21(8-10-22)11-12-24/h2-6,15,24-25H,7-12H2,1H3
InChIKeySKFIRZNFQIBLAS-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.50
Rot. Bonds5

About 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 4652294) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID4652294
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccccc3)N3CCN(CCO)CC3)c(O)n2n1
InChIInChI=1S/C18H23N5O2S/c1-13-19-18-23(20-13)17(25)16(26-18)15(14-5-3-2-4-6-14)22-9-7-21(8-10-22)11-12-24/h2-6,15,24-25H,7-12H2,1H3
InChIKeySKFIRZNFQIBLAS-UHFFFAOYSA-N
XLogP1.50
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol 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-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 4652294) is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccccc3)N3CCN(CCO)CC3)c(O)n2n1.
What is the InChIKey of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is SKFIRZNFQIBLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-13-19-18-23(20-13)17(25)16(26-18)15(14-5-3-2-4-6-14)22-9-7-21(8-10-22)11-12-24/h2-6,15,24-25H,7-12H2,1H3.
What are the key properties of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 373.48 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 4652294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).