2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine

C17H19N5OS — CID 133365158

IUPAC2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCn1cc(C2(C)CN(c3nc(-c4ccccc4)ns3)CCO2)cn1
InChIInChI=1S/C17H19N5OS/c1-17(14-10-18-21(2)11-14)12-22(8-9-23-17)16-19-15(20-24-16)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyAFVGPASODDSUPK-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.69
Rot. Bonds3

About 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine

2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 133365158) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID133365158
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCn1cc(C2(C)CN(c3nc(-c4ccccc4)ns3)CCO2)cn1
InChIInChI=1S/C17H19N5OS/c1-17(14-10-18-21(2)11-14)12-22(8-9-23-17)16-19-15(20-24-16)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyAFVGPASODDSUPK-UHFFFAOYSA-N
XLogP2.69
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine (CID 133365158) is 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine is Cn1cc(C2(C)CN(c3nc(-c4ccccc4)ns3)CCO2)cn1.
What is the InChIKey of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is AFVGPASODDSUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-17(14-10-18-21(2)11-14)12-22(8-9-23-17)16-19-15(20-24-16)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine?
2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 341.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 133365158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).