N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C13H23N3S — CID 63129839

IUPACN-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCC1(CNCc2csc(C)n2)CCNCC1
InChIInChI=1S/C13H23N3S/c1-3-13(4-6-14-7-5-13)10-15-8-12-9-17-11(2)16-12/h9,14-15H,3-8,10H2,1-2H3
InChIKeyHKEHASBORZYMCU-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.32
Rot. Bonds5

About N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 63129839) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID63129839
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCC1(CNCc2csc(C)n2)CCNCC1
InChIInChI=1S/C13H23N3S/c1-3-13(4-6-14-7-5-13)10-15-8-12-9-17-11(2)16-12/h9,14-15H,3-8,10H2,1-2H3
InChIKeyHKEHASBORZYMCU-UHFFFAOYSA-N
XLogP2.32
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 114284448
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
N-[(3-ethylpiperidin-3-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114140857
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115672794
N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 115680327
ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine
CID 143578873
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 109470132
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 63129839) is N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CCC1(CNCc2csc(C)n2)CCNCC1.
What is the InChIKey of N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is HKEHASBORZYMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-13(4-6-14-7-5-13)10-15-8-12-9-17-11(2)16-12/h9,14-15H,3-8,10H2,1-2H3.
What are the key properties of N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 63129839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).