2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine

C11H10BrF2N3S — CID 114167019

IUPAC2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)c1cnsn1
InChIInChI=1S/C11H10BrF2N3S/c1-15-9(10-5-16-18-17-10)4-6-8(13)3-2-7(12)11(6)14/h2-3,5,9,15H,4H2,1H3
InChIKeyVVCLHGIOZQLIPZ-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.08
Rot. Bonds4

About 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine (PubChem CID 114167019) has the molecular formula C11H10BrF2N3S and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
PubChem CID114167019
Molecular FormulaC11H10BrF2N3S
Molecular Weight334.19 g/mol
Exact Mass332.97
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)c1cnsn1
InChIInChI=1S/C11H10BrF2N3S/c1-15-9(10-5-16-18-17-10)4-6-8(13)3-2-7(12)11(6)14/h2-3,5,9,15H,4H2,1H3
InChIKeyVVCLHGIOZQLIPZ-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 106271658
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 106274076
2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105087401
2-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105139432
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103043497
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 106269029
2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 106273943
[2-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 106271083
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 106274257
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
N-[2-(3-bromo-2,6-difluorophenyl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 106268168
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 102622751

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine (CID 114167019) is 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine is CNC(Cc1c(F)ccc(Br)c1F)c1cnsn1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The InChIKey is VVCLHGIOZQLIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3S/c1-15-9(10-5-16-18-17-10)4-6-8(13)3-2-7(12)11(6)14/h2-3,5,9,15H,4H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine has a molecular weight of 334.19 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 114167019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).