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

C15H16N4OS — CID 43701911

IUPAC2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nc(C(C)Nc2cc(-c3nnco3)ccc2C)cs1
InChIInChI=1S/C15H16N4OS/c1-9-4-5-12(15-19-16-8-20-15)6-13(9)17-10(2)14-7-21-11(3)18-14/h4-8,10,17H,1-3H3
InChIKeyFEBVVNMGGGDMDX-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.98
Rot. Bonds4

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

2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43701911) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43701911
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nc(C(C)Nc2cc(-c3nnco3)ccc2C)cs1
InChIInChI=1S/C15H16N4OS/c1-9-4-5-12(15-19-16-8-20-15)6-13(9)17-10(2)14-7-21-11(3)18-14/h4-8,10,17H,1-3H3
InChIKeyFEBVVNMGGGDMDX-UHFFFAOYSA-N
XLogP3.98
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline (CID 43701911) is 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline is Cc1nc(C(C)Nc2cc(-c3nnco3)ccc2C)cs1.
What is the InChIKey of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is FEBVVNMGGGDMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-4-5-12(15-19-16-8-20-15)6-13(9)17-10(2)14-7-21-11(3)18-14/h4-8,10,17H,1-3H3.
What are the key properties of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline?
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 300.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43701911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).