2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine

C11H12FN3OS — CID 105180643

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESCOc1cccc(CC(N)c2cnns2)c1F
InChIInChI=1S/C11H12FN3OS/c1-16-9-4-2-3-7(11(9)12)5-8(13)10-6-14-15-17-10/h2-4,6,8H,5,13H2,1H3
InChIKeyDXGZMQCVEZTTLV-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.93
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine

2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine (PubChem CID 105180643) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine
PubChem CID105180643
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESCOc1cccc(CC(N)c2cnns2)c1F
InChIInChI=1S/C11H12FN3OS/c1-16-9-4-2-3-7(11(9)12)5-8(13)10-6-14-15-17-10/h2-4,6,8H,5,13H2,1H3
InChIKeyDXGZMQCVEZTTLV-UHFFFAOYSA-N
XLogP1.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 102866724
N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105180640
2-(2-fluoro-3-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105180632
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105087109
1-(4-bromo-3,5-dimethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 114330177
2-(2-fluoro-3-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113453797
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
1-(3-chloro-2-pyridinyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103443769

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine (CID 105180643) is 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine is COc1cccc(CC(N)c2cnns2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is DXGZMQCVEZTTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-16-9-4-2-3-7(11(9)12)5-8(13)10-6-14-15-17-10/h2-4,6,8H,5,13H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 253.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105180643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).