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

C13H13N5OS — CID 45181282

IUPACN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2ccc(N(C)Cc3nccs3)nc2)n1
InChIInChI=1S/C13H13N5OS/c1-9-16-13(19-17-9)10-3-4-11(15-7-10)18(2)8-12-14-5-6-20-12/h3-7H,8H2,1-2H3
InChIKeyUYXHUUVMHNMUNJ-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.53
Rot. Bonds4

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

N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine (PubChem CID 45181282) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
PubChem CID45181282
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2ccc(N(C)Cc3nccs3)nc2)n1
InChIInChI=1S/C13H13N5OS/c1-9-16-13(19-17-9)10-3-4-11(15-7-10)18(2)8-12-14-5-6-20-12/h3-7H,8H2,1-2H3
InChIKeyUYXHUUVMHNMUNJ-UHFFFAOYSA-N
XLogP2.53
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine with MolForge

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Related Compounds

3-Pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole
CID 699625
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 28072365
3-Pyridin-3-yl-5-thiophen-3-yl-1,2,4-oxadiazole
CID 142672379
3-[3-(Thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pyridine
CID 4916164
N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-pyridinylmethyl)-2-pyridinamine
CID 26409016
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 28331505
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyridinamine
CID 28926040
5-(3-isopropyl-1,2,4-oxadiazol-5-yl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridinamine
CID 28926171
5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]pyridine
CID 45186933
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 45193285
4-[5-(Pyridin-3-YL)-1,2,4-oxadiazol-3-YL]-2-(pyrrolidin-1-YL)pyridine
CID 53133358
{[5-(3-Ethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetic acid
CID 53337375

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine (CID 45181282) is N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine is Cc1noc(-c2ccc(N(C)Cc3nccs3)nc2)n1.
What is the InChIKey of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
The InChIKey is UYXHUUVMHNMUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-9-16-13(19-17-9)10-3-4-11(15-7-10)18(2)8-12-14-5-6-20-12/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine?
N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 45181282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).