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

C12H18N4OS — CID 55122968

IUPACN-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(Cc2nc(C)cs2)no1
InChIInChI=1S/C12H18N4OS/c1-4-13-6-8(2)12-15-10(16-17-12)5-11-14-9(3)7-18-11/h7-8,13H,4-6H2,1-3H3
InChIKeyQBLWRGRSHPQMNU-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.14
Rot. Bonds6

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

N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 55122968) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID55122968
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(Cc2nc(C)cs2)no1
InChIInChI=1S/C12H18N4OS/c1-4-13-6-8(2)12-15-10(16-17-12)5-11-14-9(3)7-18-11/h7-8,13H,4-6H2,1-3H3
InChIKeyQBLWRGRSHPQMNU-UHFFFAOYSA-N
XLogP2.14
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 55122968) is N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is CCNCC(C)c1nc(Cc2nc(C)cs2)no1.
What is the InChIKey of N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is QBLWRGRSHPQMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-13-6-8(2)12-15-10(16-17-12)5-11-14-9(3)7-18-11/h7-8,13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 55122968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).