N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine

C9H13BrF2N2S — CID 107489443

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(N(CCBr)CC(F)F)n1
InChIInChI=1S/C9H13BrF2N2S/c1-2-7-6-15-9(13-7)14(4-3-10)5-8(11)12/h6,8H,2-5H2,1H3
InChIKeyFPMMCNXSGXYRHD-UHFFFAOYSA-N
MW299.18 g/mol
LogP3.17
Rot. Bonds6

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine (PubChem CID 107489443) has the molecular formula C9H13BrF2N2S and a molecular weight of 299.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine
PubChem CID107489443
Molecular FormulaC9H13BrF2N2S
Molecular Weight299.18 g/mol
Exact Mass298.00
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(N(CCBr)CC(F)F)n1
InChIInChI=1S/C9H13BrF2N2S/c1-2-7-6-15-9(13-7)14(4-3-10)5-8(11)12/h6,8H,2-5H2,1H3
InChIKeyFPMMCNXSGXYRHD-UHFFFAOYSA-N
XLogP3.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 53.17
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-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107489472
2-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
CID 62960831
N-(2-chloroethyl)-N,4-diethyl-1,3-thiazol-2-amine
CID 63392590
3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile
CID 62961171
N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 107490316
N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine
CID 59569175
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 43532078
3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489338
4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 43532090
3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286373
N-benzyl-N-(2-bromoethyl)-4-methyl-1,3-thiazol-2-amine
CID 80674189
N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 107368586

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine (CID 107489443) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine is CCc1csc(N(CCBr)CC(F)F)n1.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is FPMMCNXSGXYRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrF2N2S/c1-2-7-6-15-9(13-7)14(4-3-10)5-8(11)12/h6,8H,2-5H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 299.18 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107489443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).