N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine

C13H23N3S — CID 63241058

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine
SMILESCc1csc(CCNCCC2CCCNC2)n1
InChIInChI=1S/C13H23N3S/c1-11-10-17-13(16-11)5-8-14-7-4-12-3-2-6-15-9-12/h10,12,14-15H,2-9H2,1H3
InChIKeyYNBPUHMMVWCUOR-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.97
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine (PubChem CID 63241058) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine
PubChem CID63241058
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine
SMILESCc1csc(CCNCCC2CCCNC2)n1
InChIInChI=1S/C13H23N3S/c1-11-10-17-13(16-11)5-8-14-7-4-12-3-2-6-15-9-12/h10,12,14-15H,2-9H2,1H3
InChIKeyYNBPUHMMVWCUOR-UHFFFAOYSA-N
XLogP1.97
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine
CID 66426868
2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 116679709
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
2-(2-cyclopentylethyl)-4-methyl-1,3-thiazole
CID 101058674
N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
CID 119875284
N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 102776004
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63239882
4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
CID 83156155
N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine
CID 115211436
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1,3-diamine
CID 80562480

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine (CID 63241058) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine is Cc1csc(CCNCCC2CCCNC2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine?
The InChIKey is YNBPUHMMVWCUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11-10-17-13(16-11)5-8-14-7-4-12-3-2-6-15-9-12/h10,12,14-15H,2-9H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine has a molecular weight of 253.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine is sourced from PubChem (CID 63241058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).