3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine

C15H18N2OS — CID 61285030

IUPAC3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCc3nccs3)C2)cc1
InChIInChI=1S/C15H18N2OS/c1-18-14-4-2-11(3-5-14)12-8-13(9-12)17-10-15-16-6-7-19-15/h2-7,12-13,17H,8-10H2,1H3
InChIKeyWORLWBGNHSVASH-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.19
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine

3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine (PubChem CID 61285030) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine
PubChem CID61285030
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCc3nccs3)C2)cc1
InChIInChI=1S/C15H18N2OS/c1-18-14-4-2-11(3-5-14)12-8-13(9-12)17-10-15-16-6-7-19-15/h2-7,12-13,17H,8-10H2,1H3
InChIKeyWORLWBGNHSVASH-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
CID 61282176
3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
CID 114698616
3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63242564
3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882728
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
N-[3-(4-methoxyphenyl)cyclobutyl]thiophen-3-amine
CID 66352292
N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43633039
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine (CID 61285030) is 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine is COc1ccc(C2CC(NCc3nccs3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is WORLWBGNHSVASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-14-4-2-11(3-5-14)12-8-13(9-12)17-10-15-16-6-7-19-15/h2-7,12-13,17H,8-10H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine?
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 274.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 61285030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).