2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine

C11H11ClFN3S — CID 103043497

IUPAC2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1cnsn1
InChIInChI=1S/C11H11ClFN3S/c1-14-10(11-6-15-17-16-11)5-7-2-3-9(13)8(12)4-7/h2-4,6,10,14H,5H2,1H3
InChIKeyPFRVCWCMVIQCHL-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.83
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine (PubChem CID 103043497) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
PubChem CID103043497
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1cnsn1
InChIInChI=1S/C11H11ClFN3S/c1-14-10(11-6-15-17-16-11)5-7-2-3-9(13)8(12)4-7/h2-4,6,10,14H,5H2,1H3
InChIKeyPFRVCWCMVIQCHL-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 102622751
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103053015
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 114167019
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 103043275
2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
CID 103040452
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103040348
1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103039915
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine (CID 103043497) is 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine is CNC(Cc1ccc(F)c(Cl)c1)c1cnsn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The InChIKey is PFRVCWCMVIQCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-14-10(11-6-15-17-16-11)5-7-2-3-9(13)8(12)4-7/h2-4,6,10,14H,5H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine has a molecular weight of 271.75 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 103043497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).