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

C11H16N4OS — CID 97353583

IUPAC(1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc([C@@H](C)NCc2nnc(C)o2)s1
InChIInChI=1S/C11H16N4OS/c1-4-9-5-13-11(17-9)7(2)12-6-10-15-14-8(3)16-10/h5,7,12H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyVIUUHHNKRHQIKB-SSDOTTSWSA-N
MW252.34 g/mol
LogP2.25
Rot. Bonds5

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

(1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 97353583) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is (1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID97353583
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name(1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc([C@@H](C)NCc2nnc(C)o2)s1
InChIInChI=1S/C11H16N4OS/c1-4-9-5-13-11(17-9)7(2)12-6-10-15-14-8(3)16-10/h5,7,12H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyVIUUHHNKRHQIKB-SSDOTTSWSA-N
XLogP2.25
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 97353583) is (1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is CCc1cnc([C@@H](C)NCc2nnc(C)o2)s1.
What is the InChIKey of (1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is VIUUHHNKRHQIKB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-4-9-5-13-11(17-9)7(2)12-6-10-15-14-8(3)16-10/h5,7,12H,4,6H2,1-3H3/t7-/m1/s1.
What are the key properties of (1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
(1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 252.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 97353583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).