N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

C7H11F2N3OS — CID 103081419

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCOCC(F)F)n1
InChIInChI=1S/C7H11F2N3OS/c1-5-11-7(14-12-5)10-2-3-13-4-6(8)9/h6H,2-4H2,1H3,(H,10,11,12)
InChIKeySQKXUQHRJXJBFE-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.54
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 103081419) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID103081419
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCOCC(F)F)n1
InChIInChI=1S/C7H11F2N3OS/c1-5-11-7(14-12-5)10-2-3-13-4-6(8)9/h6H,2-4H2,1H3,(H,10,11,12)
InChIKeySQKXUQHRJXJBFE-UHFFFAOYSA-N
XLogP1.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103952476
1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
CID 103875675
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 103081678
3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106294311
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 114129076
N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 107390179
N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103081594

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 103081419) is N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCOCC(F)F)n1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SQKXUQHRJXJBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c1-5-11-7(14-12-5)10-2-3-13-4-6(8)9/h6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 223.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103081419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).