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

C10H10F4N4O2S — CID 103472885

IUPAC4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc(COCC(F)(F)C(F)F)no2)cs1
InChIInChI=1S/C10H10F4N4O2S/c11-8(12)10(13,14)4-19-2-6-17-7(20-18-6)1-5-3-21-9(15)16-5/h3,8H,1-2,4H2,(H2,15,16)
InChIKeyXWXZQQDYGKGWLY-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.12
Rot. Bonds7

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

4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 103472885) has the molecular formula C10H10F4N4O2S and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID103472885
Molecular FormulaC10H10F4N4O2S
Molecular Weight326.28 g/mol
Exact Mass326.05
IUPAC Name4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc(COCC(F)(F)C(F)F)no2)cs1
InChIInChI=1S/C10H10F4N4O2S/c11-8(12)10(13,14)4-19-2-6-17-7(20-18-6)1-5-3-21-9(15)16-5/h3,8H,1-2,4H2,(H2,15,16)
InChIKeyXWXZQQDYGKGWLY-UHFFFAOYSA-N
XLogP2.12
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103472963
3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103473064
N-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103473078
5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 65417058
2-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 103473101
2-methyl-N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103472897
4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 116704022
3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103473131
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
CID 103473115
2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine
CID 103477015
4-[3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655651
4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 63034928

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (CID 103472885) is 4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2nc(COCC(F)(F)C(F)F)no2)cs1.
What is the InChIKey of 4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is XWXZQQDYGKGWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N4O2S/c11-8(12)10(13,14)4-19-2-6-17-7(20-18-6)1-5-3-21-9(15)16-5/h3,8H,1-2,4H2,(H2,15,16).
What are the key properties of 4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 326.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103472885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).