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

C11H16N4OS — CID 55249377

IUPAC[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(C(C)(C)C)no1
InChIInChI=1S/C11H16N4OS/c1-6-8(17-7(5-12)13-6)9-14-10(15-16-9)11(2,3)4/h5,12H2,1-4H3
InChIKeySOSVNDIKSDDAFB-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.26
Rot. Bonds2

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

[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 55249377) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is [5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID55249377
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(C(C)(C)C)no1
InChIInChI=1S/C11H16N4OS/c1-6-8(17-7(5-12)13-6)9-14-10(15-16-9)11(2,3)4/h5,12H2,1-4H3
InChIKeySOSVNDIKSDDAFB-UHFFFAOYSA-N
XLogP2.26
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (CID 55249377) is [5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc(C(C)(C)C)no1.
What is the InChIKey of [5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is SOSVNDIKSDDAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-6-8(17-7(5-12)13-6)9-14-10(15-16-9)11(2,3)4/h5,12H2,1-4H3.
What are the key properties of [5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 252.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55249377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).