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

C13H13N5OS — CID 63630049

IUPAC[4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(Cc2ccncc2)no1
InChIInChI=1S/C13H13N5OS/c1-8-12(20-11(7-14)16-8)13-17-10(18-19-13)6-9-2-4-15-5-3-9/h2-5H,6-7,14H2,1H3
InChIKeyZUFVUTBMOKUSPG-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.95
Rot. Bonds4

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

[4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 63630049) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID63630049
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name[4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(Cc2ccncc2)no1
InChIInChI=1S/C13H13N5OS/c1-8-12(20-11(7-14)16-8)13-17-10(18-19-13)6-9-2-4-15-5-3-9/h2-5H,6-7,14H2,1H3
InChIKeyZUFVUTBMOKUSPG-UHFFFAOYSA-N
XLogP1.95
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine with MolForge

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Related Compounds

[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63629547
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790239
5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 62793983
3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 55169572
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 62329730
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 121210194
1-[5-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863686
[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 65401214
[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 116704279
3-fluoro-4-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795420
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 63618214

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (CID 63630049) is [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc(Cc2ccncc2)no1.
What is the InChIKey of [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is ZUFVUTBMOKUSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8-12(20-11(7-14)16-8)13-17-10(18-19-13)6-9-2-4-15-5-3-9/h2-5H,6-7,14H2,1H3.
What are the key properties of [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
[4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 287.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 63630049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).