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

C12H21N3S — CID 62930158

IUPAC[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(N2CCC(C)(C)CC2)sc1CN
InChIInChI=1S/C12H21N3S/c1-9-10(8-13)16-11(14-9)15-6-4-12(2,3)5-7-15/h4-8,13H2,1-3H3
InChIKeyHOFKIMUUPVRSOP-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.54
Rot. Bonds2

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

[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 62930158) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is [2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID62930158
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(N2CCC(C)(C)CC2)sc1CN
InChIInChI=1S/C12H21N3S/c1-9-10(8-13)16-11(14-9)15-6-4-12(2,3)5-7-15/h4-8,13H2,1-3H3
InChIKeyHOFKIMUUPVRSOP-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
[2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393371
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62930842
[2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62931710
[2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 130548510
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 79924759
[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63917608
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82129972
[4-tert-butyl-2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62932044
1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 65286872
[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63161163
5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
CID 82427860

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 62930158) is [2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine is Cc1nc(N2CCC(C)(C)CC2)sc1CN.
What is the InChIKey of [2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is HOFKIMUUPVRSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-10(8-13)16-11(14-9)15-6-4-12(2,3)5-7-15/h4-8,13H2,1-3H3.
What are the key properties of [2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62930158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).