N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

C14H25N3S — CID 113262339

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCCc1cnc(CNC(C)C2CCN(C)CC2)s1
InChIInChI=1S/C14H25N3S/c1-4-13-9-16-14(18-13)10-15-11(2)12-5-7-17(3)8-6-12/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyTWDLNCLZSRFRTD-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.53
Rot. Bonds5

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 113262339) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID113262339
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCCc1cnc(CNC(C)C2CCN(C)CC2)s1
InChIInChI=1S/C14H25N3S/c1-4-13-9-16-14(18-13)10-15-11(2)12-5-7-17(3)8-6-12/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyTWDLNCLZSRFRTD-UHFFFAOYSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938
1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393094
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769057
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117
1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 54901970
1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55175411
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 115972418
1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895654

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 113262339) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is CCc1cnc(CNC(C)C2CCN(C)CC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is TWDLNCLZSRFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-13-9-16-14(18-13)10-15-11(2)12-5-7-17(3)8-6-12/h9,11-12,15H,4-8,10H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 113262339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).