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

C11H13F3N4OS — CID 75521385

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(NCc1nc(C)no1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N4OS/c1-3-7(15-4-9-16-6(2)18-19-9)10-17-8(5-20-10)11(12,13)14/h5,7,15H,3-4H2,1-2H3
InChIKeyNYLGHEVVAIGNIG-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.09
Rot. Bonds5

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 75521385) has the molecular formula C11H13F3N4OS and a molecular weight of 306.31 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID75521385
Molecular FormulaC11H13F3N4OS
Molecular Weight306.31 g/mol
Exact Mass306.08
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(NCc1nc(C)no1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N4OS/c1-3-7(15-4-9-16-6(2)18-19-9)10-17-8(5-20-10)11(12,13)14/h5,7,15H,3-4H2,1-2H3
InChIKeyNYLGHEVVAIGNIG-UHFFFAOYSA-N
XLogP3.09
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (CID 75521385) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is CCC(NCc1nc(C)no1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is NYLGHEVVAIGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4OS/c1-3-7(15-4-9-16-6(2)18-19-9)10-17-8(5-20-10)11(12,13)14/h5,7,15H,3-4H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 306.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 75521385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).