1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine

C9H9F2N3OS — CID 170733947

IUPAC1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C9H9F2N3OS/c1-4(12)5-2-3-6(16-5)8-13-14-9(15-8)7(10)11/h2-4,7H,12H2,1H3
InChIKeyNFPYDWCVWXJEEM-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.76
Rot. Bonds3

About 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine

1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine (PubChem CID 170733947) has the molecular formula C9H9F2N3OS and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine
PubChem CID170733947
Molecular FormulaC9H9F2N3OS
Molecular Weight245.25 g/mol
Exact Mass245.04
IUPAC Name1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C9H9F2N3OS/c1-4(12)5-2-3-6(16-5)8-13-14-9(15-8)7(10)11/h2-4,7H,12H2,1H3
InChIKeyNFPYDWCVWXJEEM-UHFFFAOYSA-N
XLogP2.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine?
The IUPAC name of 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine (CID 170733947) is 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine.
What is the SMILES notation for 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine?
The canonical SMILES for 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine is CC(N)c1ccc(-c2nnc(C(F)F)o2)s1.
What is the InChIKey of 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine?
The InChIKey is NFPYDWCVWXJEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3OS/c1-4(12)5-2-3-6(16-5)8-13-14-9(15-8)7(10)11/h2-4,7H,12H2,1H3.
What are the key properties of 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine?
1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine has a molecular weight of 245.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine is sourced from PubChem (CID 170733947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).