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

C11H11ClFN3S — CID 102622751

IUPAC2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)c1cnsn1
InChIInChI=1S/C11H11ClFN3S/c1-14-10(11-6-15-17-16-11)5-7-4-8(13)2-3-9(7)12/h2-4,6,10,14H,5H2,1H3
InChIKeyPCBTYTWSDGHALT-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.83
Rot. Bonds4

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

2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine (PubChem CID 102622751) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
PubChem CID102622751
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)c1cnsn1
InChIInChI=1S/C11H11ClFN3S/c1-14-10(11-6-15-17-16-11)5-7-4-8(13)2-3-9(7)12/h2-4,6,10,14H,5H2,1H3
InChIKeyPCBTYTWSDGHALT-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-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103043497
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103053015
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536
2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105087401
2-(2-chloro-5-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 102619203
2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 102622705
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine (CID 102622751) is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine is CNC(Cc1cc(F)ccc1Cl)c1cnsn1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The InChIKey is PCBTYTWSDGHALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-14-10(11-6-15-17-16-11)5-7-4-8(13)2-3-9(7)12/h2-4,6,10,14H,5H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
2-(2-chloro-5-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-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 102622751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).