5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

C19H17N5OS — CID 29086412

IUPAC5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESc1ccc(Cc2noc(-c3ccc(NCCc4cscn4)nc3)n2)cc1
InChIInChI=1S/C19H17N5OS/c1-2-4-14(5-3-1)10-18-23-19(25-24-18)15-6-7-17(21-11-15)20-9-8-16-12-26-13-22-16/h1-7,11-13H,8-10H2,(H,20,21)
InChIKeyFAOUQHUUOQQBJI-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.83
Rot. Bonds7

About 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 29086412) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
PubChem CID29086412
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESc1ccc(Cc2noc(-c3ccc(NCCc4cscn4)nc3)n2)cc1
InChIInChI=1S/C19H17N5OS/c1-2-4-14(5-3-1)10-18-23-19(25-24-18)15-6-7-17(21-11-15)20-9-8-16-12-26-13-22-16/h1-7,11-13H,8-10H2,(H,20,21)
InChIKeyFAOUQHUUOQQBJI-UHFFFAOYSA-N
XLogP3.83
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine with MolForge

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Related Compounds

N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide
CID 3240032
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-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
CID 121476982
5-[5-[1-[5-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66828316
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 28072365
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 51002829
N-(5-(5-ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-4,5-dimethylnicotinamide
CID 70978214
N-(5-(5-ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-4-methylnicotinamide
CID 70978435
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyridinamine
CID 28926040
N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 45181282
(2S)-2-({5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}amino)-4-(methylthio)-1-butanol
CID 45236729
5-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-YL]-N-[(pyridin-2-YL)methyl]pyridin-2-amine
CID 53037214

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (CID 29086412) is 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is c1ccc(Cc2noc(-c3ccc(NCCc4cscn4)nc3)n2)cc1.
What is the InChIKey of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is FAOUQHUUOQQBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-4-14(5-3-1)10-18-23-19(25-24-18)15-6-7-17(21-11-15)20-9-8-16-12-26-13-22-16/h1-7,11-13H,8-10H2,(H,20,21).
What are the key properties of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 363.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 29086412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).