5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine

C11H11N5OS — CID 79542423

IUPAC5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C11H11N5OS/c1-7-11(12)13-15-16(7)6-8-5-9(17-14-8)10-3-2-4-18-10/h2-5H,6,12H2,1H3
InChIKeyFTTGLXCCZZOUKH-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.93
Rot. Bonds3

About 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine

5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine (PubChem CID 79542423) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
PubChem CID79542423
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C11H11N5OS/c1-7-11(12)13-15-16(7)6-8-5-9(17-14-8)10-3-2-4-18-10/h2-5H,6,12H2,1H3
InChIKeyFTTGLXCCZZOUKH-UHFFFAOYSA-N
XLogP1.93
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine (CID 79542423) is 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine is Cc1c(N)nnn1Cc1cc(-c2cccs2)on1.
What is the InChIKey of 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
The InChIKey is FTTGLXCCZZOUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7-11(12)13-15-16(7)6-8-5-9(17-14-8)10-3-2-4-18-10/h2-5H,6,12H2,1H3.
What are the key properties of 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine has a molecular weight of 261.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).