N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine

C8H10F3N3OS — CID 103476990

IUPACN-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)COCc1nsc(NC2CC2)n1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)4-15-3-6-13-7(16-14-6)12-5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyHFUOQFSHUWBXCU-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.19
Rot. Bonds5

About N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103476990) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103476990
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)COCc1nsc(NC2CC2)n1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)4-15-3-6-13-7(16-14-6)12-5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyHFUOQFSHUWBXCU-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268347
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273980
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273982
3-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274036
3-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964782
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103081419
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103081427
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103081617

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine (CID 103476990) is N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)COCc1nsc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HFUOQFSHUWBXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)4-15-3-6-13-7(16-14-6)12-5-1-2-5/h5H,1-4H2,(H,12,13,14).
What are the key properties of N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 253.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103476990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).