N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine

C12H21N3S — CID 116888553

IUPACN-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2CCN(C)CC2)n1
InChIInChI=1S/C12H21N3S/c1-3-13-8-11-9-16-12(14-11)10-4-6-15(2)7-5-10/h9-10,13H,3-8H2,1-2H3
InChIKeyLLEFHGCMICLTGC-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.06
Rot. Bonds4

About N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 116888553) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID116888553
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2CCN(C)CC2)n1
InChIInChI=1S/C12H21N3S/c1-3-13-8-11-9-16-12(14-11)10-4-6-15(2)7-5-10/h9-10,13H,3-8H2,1-2H3
InChIKeyLLEFHGCMICLTGC-UHFFFAOYSA-N
XLogP2.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 70641697
N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79666713
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 97178740
N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79663346
N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 65351420
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 87050213
3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115639509
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 116888553) is N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(C2CCN(C)CC2)n1.
What is the InChIKey of N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is LLEFHGCMICLTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-13-8-11-9-16-12(14-11)10-4-6-15(2)7-5-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 116888553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).