2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine

C12H13ClFN3S — CID 102866349

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H13ClFN3S/c1-2-10-12(18-17-16-10)9(15)6-7-4-3-5-8(13)11(7)14/h3-5,9H,2,6,15H2,1H3
InChIKeyANWQTDUCCHKJIG-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine (PubChem CID 102866349) has the molecular formula C12H13ClFN3S and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
PubChem CID102866349
Molecular FormulaC12H13ClFN3S
Molecular Weight285.78 g/mol
Exact Mass285.05
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H13ClFN3S/c1-2-10-12(18-17-16-10)9(15)6-7-4-3-5-8(13)11(7)14/h3-5,9H,2,6,15H2,1H3
InChIKeyANWQTDUCCHKJIG-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 102866882
2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 102867292
2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105087328
2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105157299
2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 102866724
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
CID 102867290
2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
CID 116545044
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 82806876
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine (CID 102866349) is 2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine is CCc1nnsc1C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The InChIKey is ANWQTDUCCHKJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3S/c1-2-10-12(18-17-16-10)9(15)6-7-4-3-5-8(13)11(7)14/h3-5,9H,2,6,15H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine has a molecular weight of 285.78 g/mol, XLogP of 3.14, 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)-1-(4-ethylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 102866349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).