[4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine

C15H18N2S — CID 116885292

IUPAC[4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine
SMILESCc1nc(C2CCC2)sc1-c1ccc(CN)cc1
InChIInChI=1S/C15H18N2S/c1-10-14(12-7-5-11(9-16)6-8-12)18-15(17-10)13-3-2-4-13/h5-8,13H,2-4,9,16H2,1H3
InChIKeyZBKXJZZEXASJLG-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.84
Rot. Bonds3

About [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine

[4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine (PubChem CID 116885292) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine
PubChem CID116885292
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name[4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine
SMILESCc1nc(C2CCC2)sc1-c1ccc(CN)cc1
InChIInChI=1S/C15H18N2S/c1-10-14(12-7-5-11(9-16)6-8-12)18-15(17-10)13-3-2-4-13/h5-8,13H,2-4,9,16H2,1H3
InChIKeyZBKXJZZEXASJLG-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 64986273
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole
CID 70261424
2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 58245762
5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole
CID 70791136
[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 65414439
[1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886917
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
2-amino-1-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 116886750
1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
CID 116887451
(2-cyclobutyl-4-ethyl-1,3-thiazol-5-yl)methanamine
CID 104840931
4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole
CID 21365788

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine?
The IUPAC name of [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine (CID 116885292) is [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine?
The canonical SMILES for [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine is Cc1nc(C2CCC2)sc1-c1ccc(CN)cc1.
What is the InChIKey of [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine?
The InChIKey is ZBKXJZZEXASJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-14(12-7-5-11(9-16)6-8-12)18-15(17-10)13-3-2-4-13/h5-8,13H,2-4,9,16H2,1H3.
What are the key properties of [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine?
[4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 116885292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).