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

C14H17ClN2S — CID 105015167

IUPAC1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H17ClN2S/c1-3-16-13(9-14-17-6-7-18-14)11-4-5-12(15)10(2)8-11/h4-8,13,16H,3,9H2,1-2H3
InChIKeySBKVONHKRQOVBW-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.00
Rot. Bonds5

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

1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105015167) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105015167
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H17ClN2S/c1-3-16-13(9-14-17-6-7-18-14)11-4-5-12(15)10(2)8-11/h4-8,13,16H,3,9H2,1-2H3
InChIKeySBKVONHKRQOVBW-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

1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019377
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015053
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
1-(3,4-dichlorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446099
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015235
1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015176
[1-(4-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105204168
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine (CID 105015167) is 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nccs1)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is SBKVONHKRQOVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-3-16-13(9-14-17-6-7-18-14)11-4-5-12(15)10(2)8-11/h4-8,13,16H,3,9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-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 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105015167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).