[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine

C13H23N3S — CID 55157940

IUPAC[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCCC1(C)CCN(Cc2csc(CN)n2)CC1
InChIInChI=1S/C13H23N3S/c1-3-13(2)4-6-16(7-5-13)9-11-10-17-12(8-14)15-11/h10H,3-9,14H2,1-2H3
InChIKeyLAPLQXYNMZOKTD-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.61
Rot. Bonds4

About [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine

[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 55157940) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID55157940
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCCC1(C)CCN(Cc2csc(CN)n2)CC1
InChIInChI=1S/C13H23N3S/c1-3-13(2)4-6-16(7-5-13)9-11-10-17-12(8-14)15-11/h10H,3-9,14H2,1-2H3
InChIKeyLAPLQXYNMZOKTD-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62433618
2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386486
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120771298
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62431138
[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62967066
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 55166232
[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62463277
[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine
CID 112751268
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (CID 55157940) is [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is CCC1(C)CCN(Cc2csc(CN)n2)CC1.
What is the InChIKey of [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is LAPLQXYNMZOKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-13(2)4-6-16(7-5-13)9-11-10-17-12(8-14)15-11/h10H,3-9,14H2,1-2H3.
What are the key properties of [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55157940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).