3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine

C12H20N2OS — CID 115971767

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCC(C)(C)OC1CC(NCc2cscn2)C1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)15-11-4-9(5-11)13-6-10-7-16-8-14-10/h7-9,11,13H,4-6H2,1-3H3
InChIKeyJSJJEGZSEKTSRR-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.58
Rot. Bonds4

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

3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 115971767) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID115971767
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCC(C)(C)OC1CC(NCc2cscn2)C1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)15-11-4-9(5-11)13-6-10-7-16-8-14-10/h7-9,11,13H,4-6H2,1-3H3
InChIKeyJSJJEGZSEKTSRR-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 95758642
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 4792445
3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781136
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781522
3-(2-methylpropoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781590
3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781676
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43670253
3-methoxy-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 46784264
3-ethoxy-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 46784265
1-(3-Ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea
CID 49314040
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 55056181

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine (CID 115971767) is 3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine is CC(C)(C)OC1CC(NCc2cscn2)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is JSJJEGZSEKTSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,3)15-11-4-9(5-11)13-6-10-7-16-8-14-10/h7-9,11,13H,4-6H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 115971767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).