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

C14H15N5O2S — CID 45193285

IUPAC5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
SMILESCOCc1noc(-c2ccc(N(C)Cc3nccs3)nc2)n1
InChIInChI=1S/C14H15N5O2S/c1-19(8-13-15-5-6-22-13)12-4-3-10(7-16-12)14-17-11(9-20-2)18-21-14/h3-7H,8-9H2,1-2H3
InChIKeyNBCZJXUPMILVHF-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.37
Rot. Bonds6

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

5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine (PubChem CID 45193285) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
PubChem CID45193285
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
SMILESCOCc1noc(-c2ccc(N(C)Cc3nccs3)nc2)n1
InChIInChI=1S/C14H15N5O2S/c1-19(8-13-15-5-6-22-13)12-4-3-10(7-16-12)14-17-11(9-20-2)18-21-14/h3-7H,8-9H2,1-2H3
InChIKeyNBCZJXUPMILVHF-UHFFFAOYSA-N
XLogP2.37
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine (CID 45193285) is 5-[3-(methoxymethyl)-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-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine is COCc1noc(-c2ccc(N(C)Cc3nccs3)nc2)n1.
What is the InChIKey of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
The InChIKey is NBCZJXUPMILVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-19(8-13-15-5-6-22-13)12-4-3-10(7-16-12)14-17-11(9-20-2)18-21-14/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine has a molecular weight of 317.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 45193285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).