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

C13H13N5OS — CID 71871211

IUPACN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2N(C)Cc2cscn2)n1
InChIInChI=1S/C13H13N5OS/c1-9-16-13(19-17-9)11-4-3-5-14-12(11)18(2)6-10-7-20-8-15-10/h3-5,7-8H,6H2,1-2H3
InChIKeyRNRHXWKYEYBXRA-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.53
Rot. Bonds4

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

N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (PubChem CID 71871211) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
PubChem CID71871211
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2N(C)Cc2cscn2)n1
InChIInChI=1S/C13H13N5OS/c1-9-16-13(19-17-9)11-4-3-5-14-12(11)18(2)6-10-7-20-8-15-10/h3-5,7-8H,6H2,1-2H3
InChIKeyRNRHXWKYEYBXRA-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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (CID 71871211) is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is Cc1noc(-c2cccnc2N(C)Cc2cscn2)n1.
What is the InChIKey of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The InChIKey is RNRHXWKYEYBXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-9-16-13(19-17-9)11-4-3-5-14-12(11)18(2)6-10-7-20-8-15-10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-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-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 71871211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).