2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C15H19N5OS2 — CID 91822833

IUPAC2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccsc3)N3CCN(C)CC3)c(O)n2n1
InChIInChI=1S/C15H19N5OS2/c1-10-16-15-20(17-10)14(21)13(23-15)12(11-3-8-22-9-11)19-6-4-18(2)5-7-19/h3,8-9,12,21H,4-7H2,1-2H3
InChIKeyVSBYNKPUQBJFIS-UHFFFAOYSA-N
MW349.49 g/mol
LogP2.20
Rot. Bonds3

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

2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 91822833) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID91822833
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC Name2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccsc3)N3CCN(C)CC3)c(O)n2n1
InChIInChI=1S/C15H19N5OS2/c1-10-16-15-20(17-10)14(21)13(23-15)12(11-3-8-22-9-11)19-6-4-18(2)5-7-19/h3,8-9,12,21H,4-7H2,1-2H3
InChIKeyVSBYNKPUQBJFIS-UHFFFAOYSA-N
XLogP2.20
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 91822833) is 2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccsc3)N3CCN(C)CC3)c(O)n2n1.
What is the InChIKey of 2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is VSBYNKPUQBJFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS2/c1-10-16-15-20(17-10)14(21)13(23-15)12(11-3-8-22-9-11)19-6-4-18(2)5-7-19/h3,8-9,12,21H,4-7H2,1-2H3.
What are the key properties of 2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 349.49 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 91822833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).