2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine

C11H18N2S — CID 116884572

IUPAC2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCNCCc1sc(C2CCC2)nc1C
InChIInChI=1S/C11H18N2S/c1-8-10(6-7-12-2)14-11(13-8)9-4-3-5-9/h9,12H,3-7H2,1-2H3
InChIKeyNGRSJZOFUBSQGL-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine

2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine (PubChem CID 116884572) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
PubChem CID116884572
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCNCCc1sc(C2CCC2)nc1C
InChIInChI=1S/C11H18N2S/c1-8-10(6-7-12-2)14-11(13-8)9-4-3-5-9/h9,12H,3-7H2,1-2H3
InChIKeyNGRSJZOFUBSQGL-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65391068
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 116885219
2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503859
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one
CID 116886443
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884551
2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119433713
N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 112681681
3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884746

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine (CID 116884572) is 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine is CNCCc1sc(C2CCC2)nc1C.
What is the InChIKey of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The InChIKey is NGRSJZOFUBSQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-10(6-7-12-2)14-11(13-8)9-4-3-5-9/h9,12H,3-7H2,1-2H3.
What are the key properties of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 116884572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).