3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

C17H22N2OS — CID 63238922

IUPAC3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCCc3nc(C)cs3)C2)c1
InChIInChI=1S/C17H22N2OS/c1-12-11-21-17(19-12)6-7-18-15-8-14(9-15)13-4-3-5-16(10-13)20-2/h3-5,10-11,14-15,18H,6-9H2,1-2H3
InChIKeyLWKJYIMKGGDURD-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.54
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 63238922) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID63238922
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCCc3nc(C)cs3)C2)c1
InChIInChI=1S/C17H22N2OS/c1-12-11-21-17(19-12)6-7-18-15-8-14(9-15)13-4-3-5-16(10-13)20-2/h3-5,10-11,14-15,18H,6-9H2,1-2H3
InChIKeyLWKJYIMKGGDURD-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238923
3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238966
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106043404
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
3-(2-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238967
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63239039
N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106169746
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1,3-diamine
CID 80562480
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64752621
3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997574
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (CID 63238922) is 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is COc1cccc(C2CC(NCCc3nc(C)cs3)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is LWKJYIMKGGDURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-11-21-17(19-12)6-7-18-15-8-14(9-15)13-4-3-5-16(10-13)20-2/h3-5,10-11,14-15,18H,6-9H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 63238922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).