2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C16H21N5O2S — CID 7294256

IUPAC2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc([C@@H](c3ccco3)N3CCN(C)CC3)c(O)n2n1
InChIInChI=1S/C16H21N5O2S/c1-3-12-17-16-21(18-12)15(22)14(24-16)13(11-5-4-10-23-11)20-8-6-19(2)7-9-20/h4-5,10,13,22H,3,6-9H2,1-2H3/t13-/m1/s1
InChIKeyPRGSQOFGXTWIRQ-CYBMUJFWSA-N
MW347.44 g/mol
LogP1.99
Rot. Bonds4

About 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7294256) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID7294256
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc([C@@H](c3ccco3)N3CCN(C)CC3)c(O)n2n1
InChIInChI=1S/C16H21N5O2S/c1-3-12-17-16-21(18-12)15(22)14(24-16)13(11-5-4-10-23-11)20-8-6-19(2)7-9-20/h4-5,10,13,22H,3,6-9H2,1-2H3/t13-/m1/s1
InChIKeyPRGSQOFGXTWIRQ-CYBMUJFWSA-N
XLogP1.99
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-5-[(S)-furan-2-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293644
2-ethyl-5-[(R)-furan-2-yl(morpholin-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294130
2-ethyl-5-[furan-2-yl(morpholin-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 18576149
[4-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 18576323
1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide
CID 18576093
2-ethyl-5-[(S)-(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294230
2-ethyl-5-[(S)-(4-ethylphenyl)-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294224
5-[(3,4-dichlorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 18576170
5-[(2,4-dichlorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 18576169
5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382510
5-[furan-2-yl(pyrrolidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382476
1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 110382002

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7294256) is 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCc1nc2sc([C@@H](c3ccco3)N3CCN(C)CC3)c(O)n2n1.
What is the InChIKey of 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is PRGSQOFGXTWIRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-3-12-17-16-21(18-12)15(22)14(24-16)13(11-5-4-10-23-11)20-8-6-19(2)7-9-20/h4-5,10,13,22H,3,6-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 347.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7294256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).