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

C12H16N4O2S — CID 63629547

IUPAC[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(CC2CCCO2)no1
InChIInChI=1S/C12H16N4O2S/c1-7-11(19-10(6-13)14-7)12-15-9(16-18-12)5-8-3-2-4-17-8/h8H,2-6,13H2,1H3
InChIKeyYRDICXJYUYMAEC-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.68
Rot. Bonds4

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

[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 63629547) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is [4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID63629547
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(CC2CCCO2)no1
InChIInChI=1S/C12H16N4O2S/c1-7-11(19-10(6-13)14-7)12-15-9(16-18-12)5-8-3-2-4-17-8/h8H,2-6,13H2,1H3
InChIKeyYRDICXJYUYMAEC-UHFFFAOYSA-N
XLogP1.68
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,5-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43099726
4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114916026
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
[4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63630049
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 45208927
5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 113391152
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790929
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790239
[5-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 116703734
2-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831134

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (CID 63629547) is [4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc(CC2CCCO2)no1.
What is the InChIKey of [4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is YRDICXJYUYMAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7-11(19-10(6-13)14-7)12-15-9(16-18-12)5-8-3-2-4-17-8/h8H,2-6,13H2,1H3.
What are the key properties of [4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 280.35 g/mol, XLogP of 1.68, 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-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 63629547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).