5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C19H21N5O2S2 — CID 7286700

IUPAC5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN1CCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)CC1
InChIInChI=1S/C19H21N5O2S2/c1-2-22-7-9-23(10-8-22)15(14-6-4-12-27-14)16-18(25)24-19(28-16)20-17(21-24)13-5-3-11-26-13/h3-6,11-12,15,25H,2,7-10H2,1H3/t15-/m1/s1
InChIKeyJDIJNMKYHWFZTI-OAHLLOKOSA-N
MW415.54 g/mol
LogP3.54
Rot. Bonds5

About 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7286700) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID7286700
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC Name5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN1CCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)CC1
InChIInChI=1S/C19H21N5O2S2/c1-2-22-7-9-23(10-8-22)15(14-6-4-12-27-14)16-18(25)24-19(28-16)20-17(21-24)13-5-3-11-26-13/h3-6,11-12,15,25H,2,7-10H2,1H3/t15-/m1/s1
InChIKeyJDIJNMKYHWFZTI-OAHLLOKOSA-N
XLogP3.54
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[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

Related Compounds

5-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30634095
5-[(S)-(4-benzylpiperazin-1-yl)-(4-methylphenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30634170
5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382132
5-[(S)-(2-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30631372
1-[4-[[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-phenylmethyl]piperazin-1-yl]ethanone
CID 16810233
ethyl 4-[[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-phenylmethyl]piperazine-1-carboxylate
CID 16810228
2-(furan-2-yl)-5-[(R)-(3-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30631490
5-[(R)-(4-chlorophenyl)-pyrrolidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286552
ethyl 4-[(R)-(2-chlorophenyl)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperazine-1-carboxylate
CID 30674274
5-[(R)-(4-benzylpiperazin-1-yl)-(2,4-dichlorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 92762864
5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286542
furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone
CID 30881316

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7286700) is 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCN1CCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)CC1.
What is the InChIKey of 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is JDIJNMKYHWFZTI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c1-2-22-7-9-23(10-8-22)15(14-6-4-12-27-14)16-18(25)24-19(28-16)20-17(21-24)13-5-3-11-26-13/h3-6,11-12,15,25H,2,7-10H2,1H3/t15-/m1/s1.
What are the key properties of 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 415.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7286700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).