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

C14H11FN4OS — CID 43301756

IUPAC5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nnc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)14-19-18-13(20-14)8-21-11-5-6-12(16)17-7-11/h1-7H,8H2,(H2,16,17)
InChIKeyYTJTYKHBHNWOLL-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.15
Rot. Bonds4

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

5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine (PubChem CID 43301756) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
PubChem CID43301756
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC Name5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nnc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)14-19-18-13(20-14)8-21-11-5-6-12(16)17-7-11/h1-7H,8H2,(H2,16,17)
InChIKeyYTJTYKHBHNWOLL-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

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Related Compounds

4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 61032229
5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine
CID 43301701
5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301993
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302148
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 104590388
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 46693046
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-amine
CID 66217802
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301714
2-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 64770255
2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 112778299
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine (CID 43301756) is 5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2nnc(-c3ccc(F)cc3)o2)cn1.
What is the InChIKey of 5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine?
The InChIKey is YTJTYKHBHNWOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)14-19-18-13(20-14)8-21-11-5-6-12(16)17-7-11/h1-7H,8H2,(H2,16,17).
What are the key properties of 5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine?
5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-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 5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).