3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

C11H18N2OS — CID 104871887

IUPAC3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(NC(C)c2ncc(C)s2)C1
InChIInChI=1S/C11H18N2OS/c1-7-6-12-11(15-7)8(2)13-9-4-10(5-9)14-3/h6,8-10,13H,4-5H2,1-3H3
InChIKeyGYEGAEJKNKQZHI-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.28
Rot. Bonds4

About 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 104871887) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID104871887
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(NC(C)c2ncc(C)s2)C1
InChIInChI=1S/C11H18N2OS/c1-7-6-12-11(15-7)8(2)13-9-4-10(5-9)14-3/h6,8-10,13H,4-5H2,1-3H3
InChIKeyGYEGAEJKNKQZHI-UHFFFAOYSA-N
XLogP2.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584449
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 112703598
6-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115726927
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584504
3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 104871139
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine
CID 103082789
N-cyclopropyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
CID 113251345
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429583
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429569
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (CID 104871887) is 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is COC1CC(NC(C)c2ncc(C)s2)C1.
What is the InChIKey of 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is GYEGAEJKNKQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-6-12-11(15-7)8(2)13-9-4-10(5-9)14-3/h6,8-10,13H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104871887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).