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

C14H11FN4OS — CID 104743029

IUPAC2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(CSc2ccccc2F)no1
InChIInChI=1S/C14H11FN4OS/c15-9-4-1-2-6-11(9)21-8-12-18-14(20-19-12)13-10(16)5-3-7-17-13/h1-7H,8,16H2
InChIKeyMZWXXRGOHJROBI-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.15
Rot. Bonds4

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

2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 104743029) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID104743029
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC Name2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(CSc2ccccc2F)no1
InChIInChI=1S/C14H11FN4OS/c15-9-4-1-2-6-11(9)21-8-12-18-14(20-19-12)13-10(16)5-3-7-17-13/h1-7H,8,16H2
InChIKeyMZWXXRGOHJROBI-UHFFFAOYSA-N
XLogP3.15
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743031
2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743037
2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 66051285
3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66053977
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743005
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 113447842
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742960
3-amino-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837058
[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 66085611
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43248934
3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 118348723
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]pyridin-3-amine?
The IUPAC name of 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 104743029) is 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Nc1cccnc1-c1nc(CSc2ccccc2F)no1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is MZWXXRGOHJROBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c15-9-4-1-2-6-11(9)21-8-12-18-14(20-19-12)13-10(16)5-3-7-17-13/h1-7H,8,16H2.
What are the key properties of 2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 302.33 g/mol, XLogP of 3.15, 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]pyridin-3-amine is sourced from PubChem (CID 104743029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).