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

C11H11ClFN3S — CID 102866905

IUPAC2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1csnn1
InChIInChI=1S/C11H11ClFN3S/c1-14-9(10-6-17-16-15-10)5-7-3-2-4-8(12)11(7)13/h2-4,6,9,14H,5H2,1H3
InChIKeyIUUVDUJFWRIELC-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.83
Rot. Bonds4

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

2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 102866905) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID102866905
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1csnn1
InChIInChI=1S/C11H11ClFN3S/c1-14-9(10-6-17-16-15-10)5-7-3-2-4-8(12)11(7)13/h2-4,6,9,14H,5H2,1H3
InChIKeyIUUVDUJFWRIELC-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (CID 102866905) is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is CNC(Cc1cccc(Cl)c1F)c1csnn1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is IUUVDUJFWRIELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-14-9(10-6-17-16-15-10)5-7-3-2-4-8(12)11(7)13/h2-4,6,9,14H,5H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-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-2-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 102866905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).