1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine

C11H9Cl3N2S — CID 5020525

IUPAC1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1
InChIInChI=1S/C11H9Cl3N2S/c1-5(15)11-16-8(4-17-11)6-2-3-7(12)10(14)9(6)13/h2-5H,15H2,1H3
InChIKeyIHDQXWAXVQCICE-UHFFFAOYSA-N
MW307.63 g/mol
LogP4.79
Rot. Bonds2

About 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine

1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 5020525) has the molecular formula C11H9Cl3N2S and a molecular weight of 307.63 g/mol. Its IUPAC name is 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID5020525
Molecular FormulaC11H9Cl3N2S
Molecular Weight307.63 g/mol
Exact Mass305.96
IUPAC Name1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1
InChIInChI=1S/C11H9Cl3N2S/c1-5(15)11-16-8(4-17-11)6-2-3-7(12)10(14)9(6)13/h2-5H,15H2,1H3
InChIKeyIHDQXWAXVQCICE-UHFFFAOYSA-N
XLogP4.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 116867670
[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174069
1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373090
1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580478
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 5162652
1-(4-thiophen-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62091887
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 63524563
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
1-[4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61338792
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3686493
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799668

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine (CID 5020525) is 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1.
What is the InChIKey of 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is IHDQXWAXVQCICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2S/c1-5(15)11-16-8(4-17-11)6-2-3-7(12)10(14)9(6)13/h2-5H,15H2,1H3.
What are the key properties of 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 307.63 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 5020525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).