2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine

C10H14N6OS — CID 136543263

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine
SMILESCc1nc(C2CN(Cc3cnns3)CCO2)n[nH]1
InChIInChI=1S/C10H14N6OS/c1-7-12-10(14-13-7)9-6-16(2-3-17-9)5-8-4-11-15-18-8/h4,9H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyKFNYGIHJZSOXDY-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.54
Rot. Bonds3

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine

2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine (PubChem CID 136543263) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine
PubChem CID136543263
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine
SMILESCc1nc(C2CN(Cc3cnns3)CCO2)n[nH]1
InChIInChI=1S/C10H14N6OS/c1-7-12-10(14-13-7)9-6-16(2-3-17-9)5-8-4-11-15-18-8/h4,9H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyKFNYGIHJZSOXDY-UHFFFAOYSA-N
XLogP0.54
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine (CID 136543263) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine is Cc1nc(C2CN(Cc3cnns3)CCO2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine?
The InChIKey is KFNYGIHJZSOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-7-12-10(14-13-7)9-6-16(2-3-17-9)5-8-4-11-15-18-8/h4,9H,2-3,5-6H2,1H3,(H,12,13,14).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine?
2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine has a molecular weight of 266.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine is sourced from PubChem (CID 136543263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).