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

C16H20N2OS — CID 63829517

IUPAC3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCCc2cscn2)C1
InChIInChI=1S/C16H20N2OS/c1-19-16-5-3-2-4-15(16)12-8-14(9-12)17-7-6-13-10-20-11-18-13/h2-5,10-12,14,17H,6-9H2,1H3
InChIKeyBDCQDVFLXCCHPX-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.23
Rot. Bonds6

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

3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 63829517) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine
PubChem CID63829517
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCCc2cscn2)C1
InChIInChI=1S/C16H20N2OS/c1-19-16-5-3-2-4-15(16)12-8-14(9-12)17-7-6-13-10-20-11-18-13/h2-5,10-12,14,17H,6-9H2,1H3
InChIKeyBDCQDVFLXCCHPX-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]piperidine hydrobromide
CID 86811785
(2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 124608065
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]piperidine
CID 62542320
2-[4-(4-Fluoro-2-methoxyphenyl)-3-isocyano-2,6-dimethyl-3,4-dihydropyridin-5-yl]-4-methyl-1,3-thiazole
CID 90746613
4-(4-Fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile
CID 135844976
2-[4-(4-Fluoro-2-methoxyphenyl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-3-yl]-4-methyl-1,3-thiazole
CID 136204812
1-cyclohexyl-N-[[2-(thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 146000035
1-(3-fluoro-4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43724009
1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43725531
1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43728746
1-(5-fluoro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43728756
1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 43786854

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine (CID 63829517) is 3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine is COc1ccccc1C1CC(NCCc2cscn2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is BDCQDVFLXCCHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-16-5-3-2-4-15(16)12-8-14(9-12)17-7-6-13-10-20-11-18-13/h2-5,10-12,14,17H,6-9H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine?
3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 288.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 63829517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).