N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C8H10BrF3N2S — CID 107490316

IUPACN-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1csc(N(CCBr)CC(F)(F)F)n1
InChIInChI=1S/C8H10BrF3N2S/c1-6-4-15-7(13-6)14(3-2-9)5-8(10,11)12/h4H,2-3,5H2,1H3
InChIKeyCVPQHBQIZKOTEW-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.22
Rot. Bonds4

About N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 107490316) has the molecular formula C8H10BrF3N2S and a molecular weight of 303.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID107490316
Molecular FormulaC8H10BrF3N2S
Molecular Weight303.15 g/mol
Exact Mass301.97
IUPAC NameN-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1csc(N(CCBr)CC(F)(F)F)n1
InChIInChI=1S/C8H10BrF3N2S/c1-6-4-15-7(13-6)14(3-2-9)5-8(10,11)12/h4H,2-3,5H2,1H3
InChIKeyCVPQHBQIZKOTEW-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-bromoethyl)-4-methyl-1,3-thiazol-2-amine
CID 80674189
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490223
1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543631
N-(2-bromoethyl)-5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 107490296
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine
CID 107489443
5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107490318
N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 63392701
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 122132944
N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62592142
N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 60870998
N-(2-bromoethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488347
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 107490316) is N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is Cc1csc(N(CCBr)CC(F)(F)F)n1.
What is the InChIKey of N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is CVPQHBQIZKOTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2S/c1-6-4-15-7(13-6)14(3-2-9)5-8(10,11)12/h4H,2-3,5H2,1H3.
What are the key properties of N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 303.15 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107490316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).