2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline

C15H16N4OS — CID 63112673

IUPAC2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1cc(C)c(N)c(-c2nc(Cc3csc(C)n3)no2)c1
InChIInChI=1S/C15H16N4OS/c1-8-4-9(2)14(16)12(5-8)15-18-13(19-20-15)6-11-7-21-10(3)17-11/h4-5,7H,6,16H2,1-3H3
InChIKeyKSGKANHJGHNLNJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.29
Rot. Bonds3

About 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline

2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 63112673) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline
PubChem CID63112673
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1cc(C)c(N)c(-c2nc(Cc3csc(C)n3)no2)c1
InChIInChI=1S/C15H16N4OS/c1-8-4-9(2)14(16)12(5-8)15-18-13(19-20-15)6-11-7-21-10(3)17-11/h4-5,7H,6,16H2,1-3H3
InChIKeyKSGKANHJGHNLNJ-UHFFFAOYSA-N
XLogP3.29
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline (CID 63112673) is 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline is Cc1cc(C)c(N)c(-c2nc(Cc3csc(C)n3)no2)c1.
What is the InChIKey of 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is KSGKANHJGHNLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-8-4-9(2)14(16)12(5-8)15-18-13(19-20-15)6-11-7-21-10(3)17-11/h4-5,7H,6,16H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline?
2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 300.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 63112673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).