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

C17H22N2S — CID 63238966

IUPAC3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCc1csc(CCNC2CC(c3ccccc3C)C2)n1
InChIInChI=1S/C17H22N2S/c1-12-5-3-4-6-16(12)14-9-15(10-14)18-8-7-17-19-13(2)11-20-17/h3-6,11,14-15,18H,7-10H2,1-2H3
InChIKeyHTHRUJDXIHITSX-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.84
Rot. Bonds5

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

3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 63238966) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID63238966
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCc1csc(CCNC2CC(c3ccccc3C)C2)n1
InChIInChI=1S/C17H22N2S/c1-12-5-3-4-6-16(12)14-9-15(10-14)18-8-7-17-19-13(2)11-20-17/h3-6,11,14-15,18H,7-10H2,1-2H3
InChIKeyHTHRUJDXIHITSX-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238967
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238923
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-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238922
3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 61042870
9-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 63238498
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 63238611
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (CID 63238966) is 3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is Cc1csc(CCNC2CC(c3ccccc3C)C2)n1.
What is the InChIKey of 3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is HTHRUJDXIHITSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12-5-3-4-6-16(12)14-9-15(10-14)18-8-7-17-19-13(2)11-20-17/h3-6,11,14-15,18H,7-10H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 63238966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).