N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine

C8H14N2OS — CID 82720392

IUPACN-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
SMILESCC(C)(C)ONCc1cscn1
InChIInChI=1S/C8H14N2OS/c1-8(2,3)11-10-4-7-5-12-6-9-7/h5-6,10H,4H2,1-3H3
InChIKeyPZGVOHNNAMMFOZ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.96
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine

N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 82720392) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID82720392
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
SMILESCC(C)(C)ONCc1cscn1
InChIInChI=1S/C8H14N2OS/c1-8(2,3)11-10-4-7-5-12-6-9-7/h5-6,10H,4H2,1-3H3
InChIKeyPZGVOHNNAMMFOZ-UHFFFAOYSA-N
XLogP1.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine (CID 82720392) is N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine is CC(C)(C)ONCc1cscn1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is PZGVOHNNAMMFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-8(2,3)11-10-4-7-5-12-6-9-7/h5-6,10H,4H2,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine?
N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 186.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 82720392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).