1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine

C9H13F3N4OS — CID 107305476

IUPAC1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(c2nc(C(F)(F)F)ns2)CCO1
InChIInChI=1S/C9H13F3N4OS/c1-5(13)6-4-16(2-3-17-6)8-14-7(15-18-8)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyGSDOWVPBPYCFNV-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.11
Rot. Bonds2

About 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine

1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine (PubChem CID 107305476) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine
PubChem CID107305476
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC Name1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(c2nc(C(F)(F)F)ns2)CCO1
InChIInChI=1S/C9H13F3N4OS/c1-5(13)6-4-16(2-3-17-6)8-14-7(15-18-8)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyGSDOWVPBPYCFNV-UHFFFAOYSA-N
XLogP1.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793337
3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793335
4-methoxy-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 106154512
4-methoxy-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 106244117
N'-(2-methoxyethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304489
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile
CID 107304520
3-[2-Methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanethioamide
CID 107304533
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbothioamide
CID 107304538
N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide
CID 107304619
3-[2-Methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanimidamide
CID 107304632
N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304684

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine (CID 107305476) is 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine is CC(N)C1CN(c2nc(C(F)(F)F)ns2)CCO1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine?
The InChIKey is GSDOWVPBPYCFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-5(13)6-4-16(2-3-17-6)8-14-7(15-18-8)9(10,11)12/h5-6H,2-4,13H2,1H3.
What are the key properties of 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine?
1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine has a molecular weight of 282.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 107305476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).