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

C11H16N4OS — CID 97129472

IUPACN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N[C@H](C)c2nc(C)sc2C)o1
InChIInChI=1S/C11H16N4OS/c1-5-9-14-15-11(16-9)12-6(2)10-7(3)17-8(4)13-10/h6H,5H2,1-4H3,(H,12,15)/t6-/m1/s1
InChIKeyNJAFRRWHDINVCJ-ZCFIWIBFSA-N
MW252.34 g/mol
LogP2.88
Rot. Bonds4

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

N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 97129472) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID97129472
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N[C@H](C)c2nc(C)sc2C)o1
InChIInChI=1S/C11H16N4OS/c1-5-9-14-15-11(16-9)12-6(2)10-7(3)17-8(4)13-10/h6H,5H2,1-4H3,(H,12,15)/t6-/m1/s1
InChIKeyNJAFRRWHDINVCJ-ZCFIWIBFSA-N
XLogP2.88
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine (CID 97129472) is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine is CCc1nnc(N[C@H](C)c2nc(C)sc2C)o1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NJAFRRWHDINVCJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-5-9-14-15-11(16-9)12-6(2)10-7(3)17-8(4)13-10/h6H,5H2,1-4H3,(H,12,15)/t6-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 252.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97129472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).