1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

C9H9F3N4OS — CID 66373662

IUPAC1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(CC(F)(F)F)no2)cs1
InChIInChI=1S/C9H9F3N4OS/c1-4(13)8-14-5(3-18-8)7-15-6(16-17-7)2-9(10,11)12/h3-4H,2,13H2,1H3
InChIKeyLAMPDYGKLLZVJD-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.32
Rot. Bonds3

About 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66373662) has the molecular formula C9H9F3N4OS and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66373662
Molecular FormulaC9H9F3N4OS
Molecular Weight278.26 g/mol
Exact Mass278.04
IUPAC Name1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(CC(F)(F)F)no2)cs1
InChIInChI=1S/C9H9F3N4OS/c1-4(13)8-14-5(3-18-8)7-15-6(16-17-7)2-9(10,11)12/h3-4H,2,13H2,1H3
InChIKeyLAMPDYGKLLZVJD-UHFFFAOYSA-N
XLogP2.32
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine with MolForge

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Related Compounds

N-[[5-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 11067703
2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 71914809
N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 155548149
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide
CID 53167422
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide
CID 53167424
N-cyclopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
CID 53167426
N-Cycloheptyl-4-(3-ethyl-1,2,4-oxadiazol-5-YL)-1,3-thiazole-2-carboxamide
CID 53167529
3-(2-Methoxyethyl)-5-(2-propyl-1,3-thiazol-4-YL)-1,2,4-oxadiazole
CID 72849759
tert-butyl N-methyl-N-[(2S)-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 97605081
N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)thiazole-2-carboxamide
CID 52906468
2-[4-(3-Methyl-[1,2,4]oxadiazol-5-yl)-thiazol-2-yl]-guanidine
CID 13351803
4-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62788817

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (CID 66373662) is 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2nc(CC(F)(F)F)no2)cs1.
What is the InChIKey of 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is LAMPDYGKLLZVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4OS/c1-4(13)8-14-5(3-18-8)7-15-6(16-17-7)2-9(10,11)12/h3-4H,2,13H2,1H3.
What are the key properties of 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 278.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66373662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).