N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine

C11H14N4OS — CID 79239234

IUPACN-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1cccc(CSc2nnc(C)o2)n1
InChIInChI=1S/C11H14N4OS/c1-3-12-10-6-4-5-9(13-10)7-17-11-15-14-8(2)16-11/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyOJQGQYUHVKROKN-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine

N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 79239234) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID79239234
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1cccc(CSc2nnc(C)o2)n1
InChIInChI=1S/C11H14N4OS/c1-3-12-10-6-4-5-9(13-10)7-17-11-15-14-8(2)16-11/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyOJQGQYUHVKROKN-UHFFFAOYSA-N
XLogP2.50
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine (CID 79239234) is N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine is CCNc1cccc(CSc2nnc(C)o2)n1.
What is the InChIKey of N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is OJQGQYUHVKROKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-12-10-6-4-5-9(13-10)7-17-11-15-14-8(2)16-11/h4-6H,3,7H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine?
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 79239234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).