2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine

C13H19N5OS — CID 86772824

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine
SMILESCc1csc(C2CN(CCCn3cncn3)CCO2)n1
InChIInChI=1S/C13H19N5OS/c1-11-8-20-13(16-11)12-7-17(5-6-19-12)3-2-4-18-10-14-9-15-18/h8-10,12H,2-7H2,1H3
InChIKeyCUJZFJUROOFZPO-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.51
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine

2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine (PubChem CID 86772824) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine
PubChem CID86772824
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine
SMILESCc1csc(C2CN(CCCn3cncn3)CCO2)n1
InChIInChI=1S/C13H19N5OS/c1-11-8-20-13(16-11)12-7-17(5-6-19-12)3-2-4-18-10-14-9-15-18/h8-10,12H,2-7H2,1H3
InChIKeyCUJZFJUROOFZPO-UHFFFAOYSA-N
XLogP1.51
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine (CID 86772824) is 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine is Cc1csc(C2CN(CCCn3cncn3)CCO2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine?
The InChIKey is CUJZFJUROOFZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-11-8-20-13(16-11)12-7-17(5-6-19-12)3-2-4-18-10-14-9-15-18/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine?
2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine has a molecular weight of 293.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine is sourced from PubChem (CID 86772824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).