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

C14H25N3S — CID 106052624

IUPACN-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCC1CCNC(CNCCc2csc(C)n2)C1
InChIInChI=1S/C14H25N3S/c1-3-12-4-7-16-14(8-12)9-15-6-5-13-10-18-11(2)17-13/h10,12,14-16H,3-9H2,1-2H3
InChIKeyHPFPBBKLQBDXAY-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.36
Rot. Bonds6

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

N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 106052624) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID106052624
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCC1CCNC(CNCCc2csc(C)n2)C1
InChIInChI=1S/C14H25N3S/c1-3-12-4-7-16-14(8-12)9-15-6-5-13-10-18-11(2)17-13/h10,12,14-16H,3-9H2,1-2H3
InChIKeyHPFPBBKLQBDXAY-UHFFFAOYSA-N
XLogP2.36
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.36
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

4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide
CID 106047519
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 114430985
N-[(3-methylcyclohexyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103883909
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106049173
1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 114431418
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 103920413
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114430810
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
CID 114430915
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106052435
3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 106039550
N-[(4-ethylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114132011

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 106052624) is N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCC1CCNC(CNCCc2csc(C)n2)C1.
What is the InChIKey of N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is HPFPBBKLQBDXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-12-4-7-16-14(8-12)9-15-6-5-13-10-18-11(2)17-13/h10,12,14-16H,3-9H2,1-2H3.
What are the key properties of N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 106052624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).