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

C13H20N4OS — CID 75521477

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCc1noc(CNC(C)c2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C13H20N4OS/c1-8(14-6-11-15-9(2)17-18-11)12-16-10(7-19-12)13(3,4)5/h7-8,14H,6H2,1-5H3
InChIKeyCJZHMQIQQDPMFJ-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.98
Rot. Bonds4

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 75521477) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID75521477
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCc1noc(CNC(C)c2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C13H20N4OS/c1-8(14-6-11-15-9(2)17-18-11)12-16-10(7-19-12)13(3,4)5/h7-8,14H,6H2,1-5H3
InChIKeyCJZHMQIQQDPMFJ-UHFFFAOYSA-N
XLogP2.98
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 75521477) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is Cc1noc(CNC(C)c2nc(C(C)(C)C)cs2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is CJZHMQIQQDPMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(14-6-11-15-9(2)17-18-11)12-16-10(7-19-12)13(3,4)5/h7-8,14H,6H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 280.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 75521477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).