2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine

C14H17ClN2S — CID 106868592

IUPAC2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1cncs1
InChIInChI=1S/C14H17ClN2S/c1-3-17-13(14-8-16-9-18-14)7-11-5-4-10(2)6-12(11)15/h4-6,8-9,13,17H,3,7H2,1-2H3
InChIKeyFXEXRAUCBTYZNS-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.00
Rot. Bonds5

About 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine

2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 106868592) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID106868592
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1cncs1
InChIInChI=1S/C14H17ClN2S/c1-3-17-13(14-8-16-9-18-14)7-11-5-4-10(2)6-12(11)15/h4-6,8-9,13,17H,3,7H2,1-2H3
InChIKeyFXEXRAUCBTYZNS-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 106867253
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106858475
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 106867922
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 106867932
2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 106867810
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106866129
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868
[2-(2-chloro-4-methylphenyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 106868593
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine (CID 106868592) is 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1ccc(C)cc1Cl)c1cncs1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is FXEXRAUCBTYZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-3-17-13(14-8-16-9-18-14)7-11-5-4-10(2)6-12(11)15/h4-6,8-9,13,17H,3,7H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine?
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 280.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 106868592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).