N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine

C13H24N2S — CID 116887347

IUPACN-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCCC(CNC)c1sc(CC(C)C)nc1C
InChIInChI=1S/C13H24N2S/c1-6-11(8-14-5)13-10(4)15-12(16-13)7-9(2)3/h9,11,14H,6-8H2,1-5H3
InChIKeyAQFMNWSBIBINME-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.36
Rot. Bonds6

About N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine

N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 116887347) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID116887347
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCCC(CNC)c1sc(CC(C)C)nc1C
InChIInChI=1S/C13H24N2S/c1-6-11(8-14-5)13-10(4)15-12(16-13)7-9(2)3/h9,11,14H,6-8H2,1-5H3
InChIKeyAQFMNWSBIBINME-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine
CID 116887345
2-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylbutan-1-amine
CID 116887353
N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884752
[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82426550
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115705663
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 116885305
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426540
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole
CID 143926152
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
CID 82426538

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine (CID 116887347) is N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine is CCC(CNC)c1sc(CC(C)C)nc1C.
What is the InChIKey of N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is AQFMNWSBIBINME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-11(8-14-5)13-10(4)15-12(16-13)7-9(2)3/h9,11,14H,6-8H2,1-5H3.
What are the key properties of N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine?
N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116887347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).