2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C12H13ClN2S — CID 115596018

IUPAC2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESClc1ccccc1CCNCc1cscn1
InChIInChI=1S/C12H13ClN2S/c13-12-4-2-1-3-10(12)5-6-14-7-11-8-16-9-15-11/h1-4,8-9,14H,5-7H2
InChIKeyQUOJPBLYHWCXRL-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 115596018) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID115596018
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESClc1ccccc1CCNCc1cscn1
InChIInChI=1S/C12H13ClN2S/c13-12-4-2-1-3-10(12)5-6-14-7-11-8-16-9-15-11/h1-4,8-9,14H,5-7H2
InChIKeyQUOJPBLYHWCXRL-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830404
2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60697544
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
2-methyl-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 112554922
N-[(2-bromo-4-chlorophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 81498822
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 81145010
N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
CID 24840689
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63831322
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113222746

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 115596018) is 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is Clc1ccccc1CCNCc1cscn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is QUOJPBLYHWCXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-12-4-2-1-3-10(12)5-6-14-7-11-8-16-9-15-11/h1-4,8-9,14H,5-7H2.
What are the key properties of 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 115596018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).