5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine

C19H16FN5OS — CID 28735395

IUPAC5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1nccs1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1
InChIInChI=1S/C19H16FN5OS/c1-25(12-18-21-8-9-27-18)17-7-4-14(11-22-17)19-23-16(24-26-19)10-13-2-5-15(20)6-3-13/h2-9,11H,10,12H2,1H3
InChIKeyVRWFXEDGJKIARY-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.95
Rot. Bonds6

About 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine

5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine (PubChem CID 28735395) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
PubChem CID28735395
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1nccs1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1
InChIInChI=1S/C19H16FN5OS/c1-25(12-18-21-8-9-27-18)17-7-4-14(11-22-17)19-23-16(24-26-19)10-13-2-5-15(20)6-3-13/h2-9,11H,10,12H2,1H3
InChIKeyVRWFXEDGJKIARY-UHFFFAOYSA-N
XLogP3.95
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-Ethyl-3-[5-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 44205639
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 25282110
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 28072365
1-Acetyl-4-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-1,4-diazepane
CID 29085177
N-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N,N',N'-trimethylethane-1,2-diamine
CID 70768290
1-Ethyl-4-{5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}piperazine
CID 28230566
3-[3-(Thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pyridine
CID 4916164
5-[3-(4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-pyridinylmethyl)-2-pyridinamine
CID 28239224
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyridinamine
CID 28926040
5-[3-(4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-[3-(1H-imidazol-1-yl)propyl]-2-pyridinamine
CID 29021727
N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 45181282
5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]pyridine
CID 45186933

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine (CID 28735395) is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine is CN(Cc1nccs1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1.
What is the InChIKey of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
The InChIKey is VRWFXEDGJKIARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-25(12-18-21-8-9-27-18)17-7-4-14(11-22-17)19-23-16(24-26-19)10-13-2-5-15(20)6-3-13/h2-9,11H,10,12H2,1H3.
What are the key properties of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine has a molecular weight of 381.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 28735395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).