4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine

C7H8BrF3N2OS — CID 79399152

IUPAC4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)COCCNc1nc(Br)cs1
InChIInChI=1S/C7H8BrF3N2OS/c8-5-3-15-6(13-5)12-1-2-14-4-7(9,10)11/h3H,1-2,4H2,(H,12,13)
InChIKeyVVNKRFLIVJRWQV-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.90
Rot. Bonds5

About 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine

4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 79399152) has the molecular formula C7H8BrF3N2OS and a molecular weight of 305.12 g/mol. Its IUPAC name is 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID79399152
Molecular FormulaC7H8BrF3N2OS
Molecular Weight305.12 g/mol
Exact Mass303.95
IUPAC Name4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)COCCNc1nc(Br)cs1
InChIInChI=1S/C7H8BrF3N2OS/c8-5-3-15-6(13-5)12-1-2-14-4-7(9,10)11/h3H,1-2,4H2,(H,12,13)
InChIKeyVVNKRFLIVJRWQV-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 60730979
4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79398747
4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79400506
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 83152900
3-[(4-Bromo-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105646904
3-[(4-Bromo-1,3-thiazol-2-yl)amino]-1,1-difluoropropan-2-ol
CID 105647531
N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 105913069
4-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 105913160
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 105913306
3-[(4-Bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
CID 106171982
4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine
CID 106431060
2-[(4-Bromo-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107482095

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (CID 79399152) is 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is FC(F)(F)COCCNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is VVNKRFLIVJRWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N2OS/c8-5-3-15-6(13-5)12-1-2-14-4-7(9,10)11/h3H,1-2,4H2,(H,12,13).
What are the key properties of 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 305.12 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79399152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).