N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C17H22N2S — CID 105189609

IUPACN-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)c1scnc1C
InChIInChI=1S/C17H22N2S/c1-3-18-16(17-12(2)19-11-20-17)15-9-5-8-14(10-15)13-6-4-7-13/h5,8-11,13,16,18H,3-4,6-7H2,1-2H3
InChIKeySWMCCNHRBUJVDY-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.42
Rot. Bonds5

About N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 105189609) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID105189609
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)c1scnc1C
InChIInChI=1S/C17H22N2S/c1-3-18-16(17-12(2)19-11-20-17)15-9-5-8-14(10-15)13-6-4-7-13/h5,8-11,13,16,18H,3-4,6-7H2,1-2H3
InChIKeySWMCCNHRBUJVDY-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114603414
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
CID 106693362
N-[(2,3-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140660
N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105172283
N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140832
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105188667
1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105171257
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 105189609) is N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is CCNC(c1cccc(C2CCC2)c1)c1scnc1C.
What is the InChIKey of N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is SWMCCNHRBUJVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-18-16(17-12(2)19-11-20-17)15-9-5-8-14(10-15)13-6-4-7-13/h5,8-11,13,16,18H,3-4,6-7H2,1-2H3.
What are the key properties of N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105189609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).