1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine

C15H17BrF2N2S — CID 107539237

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1nc(C)c(C)s1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H17BrF2N2S/c1-4-19-12(7-13-20-8(2)9(3)21-13)10-5-6-11(17)15(18)14(10)16/h5-6,12,19H,4,7H2,1-3H3
InChIKeyXGMARTDETXBNHT-UHFFFAOYSA-N
MW375.28 g/mol
LogP4.69
Rot. Bonds5

About 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine

1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine (PubChem CID 107539237) has the molecular formula C15H17BrF2N2S and a molecular weight of 375.28 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
PubChem CID107539237
Molecular FormulaC15H17BrF2N2S
Molecular Weight375.28 g/mol
Exact Mass374.03
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1nc(C)c(C)s1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H17BrF2N2S/c1-4-19-12(7-13-20-8(2)9(3)21-13)10-5-6-11(17)15(18)14(10)16/h5-6,12,19H,4,7H2,1-3H3
InChIKeyXGMARTDETXBNHT-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 107538340
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019688
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 105019741
1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019918
N-[1-(2-bromo-3,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107539423
1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019919
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 105019681
N-[1-(2-bromo-3-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107985268
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 107539233
3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 107539227
1-(2-bromo-3,4-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 107539190
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065910

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine (CID 107539237) is 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine is CCNC(Cc1nc(C)c(C)s1)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The InChIKey is XGMARTDETXBNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF2N2S/c1-4-19-12(7-13-20-8(2)9(3)21-13)10-5-6-11(17)15(18)14(10)16/h5-6,12,19H,4,7H2,1-3H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine has a molecular weight of 375.28 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine is sourced from PubChem (CID 107539237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).