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

C16H20N2OS — CID 61042870

IUPAC3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCc2nc(C)cs2)C1
InChIInChI=1S/C16H20N2OS/c1-11-10-20-16(18-11)9-17-13-7-12(8-13)14-5-3-4-6-15(14)19-2/h3-6,10,12-13,17H,7-9H2,1-2H3
InChIKeySLLMLKAXQWBAMQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.50
Rot. Bonds5

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

3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 61042870) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID61042870
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCc2nc(C)cs2)C1
InChIInChI=1S/C16H20N2OS/c1-11-10-20-16(18-11)9-17-13-7-12(8-13)14-5-3-4-6-15(14)19-2/h3-6,10,12-13,17H,7-9H2,1-2H3
InChIKeySLLMLKAXQWBAMQ-UHFFFAOYSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587961
3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238966
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43633599
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 78953381
3-(2-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238967
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60779337
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632427
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine
CID 63829517
3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238922

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine (CID 61042870) is 3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine is COc1ccccc1C1CC(NCc2nc(C)cs2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is SLLMLKAXQWBAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-10-20-16(18-11)9-17-13-7-12(8-13)14-5-3-4-6-15(14)19-2/h3-6,10,12-13,17H,7-9H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 288.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 61042870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).