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

C15H16N4OS — CID 63751911

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nc(C)c(C(C)Nc2cccc(-c3nnco3)c2)s1
InChIInChI=1S/C15H16N4OS/c1-9-14(21-11(3)17-9)10(2)18-13-6-4-5-12(7-13)15-19-16-8-20-15/h4-8,10,18H,1-3H3
InChIKeyUQZPRSAHHGEKLN-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.98
Rot. Bonds4

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 63751911) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID63751911
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nc(C)c(C(C)Nc2cccc(-c3nnco3)c2)s1
InChIInChI=1S/C15H16N4OS/c1-9-14(21-11(3)17-9)10(2)18-13-6-4-5-12(7-13)15-19-16-8-20-15/h4-8,10,18H,1-3H3
InChIKeyUQZPRSAHHGEKLN-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 N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline (CID 63751911) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline is Cc1nc(C)c(C(C)Nc2cccc(-c3nnco3)c2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is UQZPRSAHHGEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-14(21-11(3)17-9)10(2)18-13-6-4-5-12(7-13)15-19-16-8-20-15/h4-8,10,18H,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(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 N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 63751911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).