2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole

C15H15N5OS — CID 45199136

IUPAC2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCc1ccc(-c2cnnc(N3CCCC3c3nccs3)n2)o1
InChIInChI=1S/C15H15N5OS/c1-10-4-5-13(21-10)11-9-17-19-15(18-11)20-7-2-3-12(20)14-16-6-8-22-14/h4-6,8-9,12H,2-3,7H2,1H3
InChIKeyUCYOAXDIQVPLKO-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.24
Rot. Bonds3

About 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole

2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 45199136) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole
PubChem CID45199136
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCc1ccc(-c2cnnc(N3CCCC3c3nccs3)n2)o1
InChIInChI=1S/C15H15N5OS/c1-10-4-5-13(21-10)11-9-17-19-15(18-11)20-7-2-3-12(20)14-16-6-8-22-14/h4-6,8-9,12H,2-3,7H2,1H3
InChIKeyUCYOAXDIQVPLKO-UHFFFAOYSA-N
XLogP3.24
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole (CID 45199136) is 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole is Cc1ccc(-c2cnnc(N3CCCC3c3nccs3)n2)o1.
What is the InChIKey of 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is UCYOAXDIQVPLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-10-4-5-13(21-10)11-9-17-19-15(18-11)20-7-2-3-12(20)14-16-6-8-22-14/h4-6,8-9,12H,2-3,7H2,1H3.
What are the key properties of 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole?
2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 313.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 45199136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).