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

C16H17N5OS — CID 166230979

IUPAC4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine
SMILESCc1cccc(-n2cc(-c3csc(N4CCOCC4)n3)nn2)c1
InChIInChI=1S/C16H17N5OS/c1-12-3-2-4-13(9-12)21-10-14(18-19-21)15-11-23-16(17-15)20-5-7-22-8-6-20/h2-4,9-11H,5-8H2,1H3
InChIKeyZBOIBGVTVYQNCT-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.54
Rot. Bonds3

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

4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine (PubChem CID 166230979) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine
PubChem CID166230979
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine
SMILESCc1cccc(-n2cc(-c3csc(N4CCOCC4)n3)nn2)c1
InChIInChI=1S/C16H17N5OS/c1-12-3-2-4-13(9-12)21-10-14(18-19-21)15-11-23-16(17-15)20-5-7-22-8-6-20/h2-4,9-11H,5-8H2,1H3
InChIKeyZBOIBGVTVYQNCT-UHFFFAOYSA-N
XLogP2.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine (CID 166230979) is 4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine is Cc1cccc(-n2cc(-c3csc(N4CCOCC4)n3)nn2)c1.
What is the InChIKey of 4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is ZBOIBGVTVYQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-12-3-2-4-13(9-12)21-10-14(18-19-21)15-11-23-16(17-15)20-5-7-22-8-6-20/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine?
4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 327.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 166230979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).