5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C14H16N4O2S — CID 91820888

IUPAC5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccc(C(c2sc3ncnn3c2O)N2CCCC2)o1
InChIInChI=1S/C14H16N4O2S/c1-9-4-5-10(20-9)11(17-6-2-3-7-17)12-13(19)18-14(21-12)15-8-16-18/h4-5,8,11,19H,2-3,6-7H2,1H3
InChIKeyQPXHGORAAZASEQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.58
Rot. Bonds3

About 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 91820888) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID91820888
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccc(C(c2sc3ncnn3c2O)N2CCCC2)o1
InChIInChI=1S/C14H16N4O2S/c1-9-4-5-10(20-9)11(17-6-2-3-7-17)12-13(19)18-14(21-12)15-8-16-18/h4-5,8,11,19H,2-3,6-7H2,1H3
InChIKeyQPXHGORAAZASEQ-UHFFFAOYSA-N
XLogP2.58
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 91820888) is 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1ccc(C(c2sc3ncnn3c2O)N2CCCC2)o1.
What is the InChIKey of 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is QPXHGORAAZASEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-4-5-10(20-9)11(17-6-2-3-7-17)12-13(19)18-14(21-12)15-8-16-18/h4-5,8,11,19H,2-3,6-7H2,1H3.
What are the key properties of 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 304.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 91820888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).