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

C20H19ClN4O2S — CID 7286542

IUPAC5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESOc1c([C@@H](c2ccccc2Cl)N2CCCCC2)sc2nc(-c3ccco3)nn12
InChIInChI=1S/C20H19ClN4O2S/c21-14-8-3-2-7-13(14)16(24-10-4-1-5-11-24)17-19(26)25-20(28-17)22-18(23-25)15-9-6-12-27-15/h2-3,6-9,12,16,26H,1,4-5,10-11H2/t16-/m1/s1
InChIKeyIETRHWAFRQTCNZ-MRXNPFEDSA-N
MW414.92 g/mol
LogP4.99
Rot. Bonds4

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

5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7286542) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID7286542
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESOc1c([C@@H](c2ccccc2Cl)N2CCCCC2)sc2nc(-c3ccco3)nn12
InChIInChI=1S/C20H19ClN4O2S/c21-14-8-3-2-7-13(14)16(24-10-4-1-5-11-24)17-19(26)25-20(28-17)22-18(23-25)15-9-6-12-27-15/h2-3,6-9,12,16,26H,1,4-5,10-11H2/t16-/m1/s1
InChIKeyIETRHWAFRQTCNZ-MRXNPFEDSA-N
XLogP4.99
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(R)-(2-chlorophenyl)-piperidin-1-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)-(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
5-[(R)-(2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30674276
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-chlorophenyl)-pyrrolidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286552
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)-(2,4-dichlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 98382040
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
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
5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286550
5-[(R)-(2-fluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30674675
1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide
CID 16810375
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

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 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) is 5-[(R)-(2-chlorophenyl)-piperidin-1-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)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Oc1c([C@@H](c2ccccc2Cl)N2CCCCC2)sc2nc(-c3ccco3)nn12.
What is the InChIKey of 5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is IETRHWAFRQTCNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c21-14-8-3-2-7-13(14)16(24-10-4-1-5-11-24)17-19(26)25-20(28-17)22-18(23-25)15-9-6-12-27-15/h2-3,6-9,12,16,26H,1,4-5,10-11H2/t16-/m1/s1.
What are the key properties of 5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 414.92 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-(2-chlorophenyl)-piperidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7286542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).