2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

C8H8FN3S2 — CID 130594464

IUPAC2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2sccc2F)s1
InChIInChI=1S/C8H8FN3S2/c9-5-2-4-13-7(5)8-12-11-6(14-8)1-3-10/h2,4H,1,3,10H2
InChIKeyOIQZDBXPPCJERI-UHFFFAOYSA-N
MW229.31 g/mol
LogP1.91
Rot. Bonds3

About 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 130594464) has the molecular formula C8H8FN3S2 and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID130594464
Molecular FormulaC8H8FN3S2
Molecular Weight229.31 g/mol
Exact Mass229.01
IUPAC Name2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2sccc2F)s1
InChIInChI=1S/C8H8FN3S2/c9-5-2-4-13-7(5)8-12-11-6(14-8)1-3-10/h2,4H,1,3,10H2
InChIKeyOIQZDBXPPCJERI-UHFFFAOYSA-N
XLogP1.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 130650382
2-Chloro-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594413
2-(3-Fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole
CID 130594415
2-(1-Chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594459
2-(1-Bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594461
1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 130594465
2-Pentyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 70520238
2-Methyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 70637289
2-Ethyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 101460114
2-(5-(2-Thienyl)-1,3,4-thiadiazol-2-yl)ethylamine
CID 49756869
3-(5-(2-Thienyl)-1,3,4-thiadiazol-2-yl)propylamine
CID 49756878
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-thiophen-2-ylethanamine
CID 61622768

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 130594464) is 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is NCCc1nnc(-c2sccc2F)s1.
What is the InChIKey of 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is OIQZDBXPPCJERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3S2/c9-5-2-4-13-7(5)8-12-11-6(14-8)1-3-10/h2,4H,1,3,10H2.
What are the key properties of 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 229.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 130594464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).