1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C14H22N4OS — CID 61014973

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCc1noc(CNC(C)c2sc(C(C)(C)C)nc2C)n1
InChIInChI=1S/C14H22N4OS/c1-8(15-7-11-17-10(3)18-19-11)12-9(2)16-13(20-12)14(4,5)6/h8,15H,7H2,1-6H3
InChIKeyWPUKAZKWNPYVDR-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.29
Rot. Bonds4

About 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 61014973) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID61014973
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCc1noc(CNC(C)c2sc(C(C)(C)C)nc2C)n1
InChIInChI=1S/C14H22N4OS/c1-8(15-7-11-17-10(3)18-19-11)12-9(2)16-13(20-12)14(4,5)6/h8,15H,7H2,1-6H3
InChIKeyWPUKAZKWNPYVDR-UHFFFAOYSA-N
XLogP3.29
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 61014973) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is Cc1noc(CNC(C)c2sc(C(C)(C)C)nc2C)n1.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is WPUKAZKWNPYVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-8(15-7-11-17-10(3)18-19-11)12-9(2)16-13(20-12)14(4,5)6/h8,15H,7H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 294.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 61014973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).