N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

C6H7BrF3N3S — CID 107490223

IUPACN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CN(CCBr)c1ncns1
InChIInChI=1S/C6H7BrF3N3S/c7-1-2-13(3-6(8,9)10)5-11-4-12-14-5/h4H,1-3H2
InChIKeyBOTIYQRICAYGRW-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.30
Rot. Bonds4

About N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107490223) has the molecular formula C6H7BrF3N3S and a molecular weight of 290.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107490223
Molecular FormulaC6H7BrF3N3S
Molecular Weight290.11 g/mol
Exact Mass288.95
IUPAC NameN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CN(CCBr)c1ncns1
InChIInChI=1S/C6H7BrF3N3S/c7-1-2-13(3-6(8,9)10)5-11-4-12-14-5/h4H,1-3H2
InChIKeyBOTIYQRICAYGRW-UHFFFAOYSA-N
XLogP2.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 107490316
5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107490318
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
CID 107490379
N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490362
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411
1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol
CID 79390166
2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473
N-(2-bromoethyl)-5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 107490296
N-(2-bromoethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,2-benzothiazol-3-amine
CID 107490216
N,N'-dimethyl-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65272066
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484410
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107492513

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (CID 107490223) is N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)CN(CCBr)c1ncns1.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BOTIYQRICAYGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF3N3S/c7-1-2-13(3-6(8,9)10)5-11-4-12-14-5/h4H,1-3H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 290.11 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107490223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).