2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine

C13H10FN3OS2 — CID 66051285

IUPAC2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESNc1ccsc1-c1nc(CSc2ccccc2F)no1
InChIInChI=1S/C13H10FN3OS2/c14-8-3-1-2-4-10(8)20-7-11-16-13(18-17-11)12-9(15)5-6-19-12/h1-6H,7,15H2
InChIKeyRGBSTSJHYCTCOK-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.81
Rot. Bonds4

About 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine

2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine (PubChem CID 66051285) has the molecular formula C13H10FN3OS2 and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
PubChem CID66051285
Molecular FormulaC13H10FN3OS2
Molecular Weight307.38 g/mol
Exact Mass307.02
IUPAC Name2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESNc1ccsc1-c1nc(CSc2ccccc2F)no1
InChIInChI=1S/C13H10FN3OS2/c14-8-3-1-2-4-10(8)20-7-11-16-13(18-17-11)12-9(15)5-6-19-12/h1-6H,7,15H2
InChIKeyRGBSTSJHYCTCOK-UHFFFAOYSA-N
XLogP3.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66053977
2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743029
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65130994
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 66110993
[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 66085611
1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 66052441
3-amino-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837058
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 62329730
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43248934
1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66053210
2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 130594373
3-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 66085805

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The IUPAC name of 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine (CID 66051285) is 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The canonical SMILES for 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine is Nc1ccsc1-c1nc(CSc2ccccc2F)no1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The InChIKey is RGBSTSJHYCTCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS2/c14-8-3-1-2-4-10(8)20-7-11-16-13(18-17-11)12-9(15)5-6-19-12/h1-6H,7,15H2.
What are the key properties of 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine has a molecular weight of 307.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine is sourced from PubChem (CID 66051285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).