[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine

C12H11N5OS — CID 66380528

IUPAC[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1ccnc(-c2noc(-c3csc(CN)n3)n2)c1
InChIInChI=1S/C12H11N5OS/c1-7-2-3-14-8(4-7)11-16-12(18-17-11)9-6-19-10(5-13)15-9/h2-4,6H,5,13H2,1H3
InChIKeyNAHVJBMCUPXALU-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.02
Rot. Bonds3

About [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine

[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 66380528) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID66380528
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1ccnc(-c2noc(-c3csc(CN)n3)n2)c1
InChIInChI=1S/C12H11N5OS/c1-7-2-3-14-8(4-7)11-16-12(18-17-11)9-6-19-10(5-13)15-9/h2-4,6H,5,13H2,1H3
InChIKeyNAHVJBMCUPXALU-UHFFFAOYSA-N
XLogP2.02
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (CID 66380528) is [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is Cc1ccnc(-c2noc(-c3csc(CN)n3)n2)c1.
What is the InChIKey of [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is NAHVJBMCUPXALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-7-2-3-14-8(4-7)11-16-12(18-17-11)9-6-19-10(5-13)15-9/h2-4,6H,5,13H2,1H3.
What are the key properties of [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 273.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66380528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).