2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C14H17ClN2S — CID 105085899

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1csc(C)n1
InChIInChI=1S/C14H17ClN2S/c1-3-16-13(14-9-18-10(2)17-14)8-11-5-4-6-12(15)7-11/h4-7,9,13,16H,3,8H2,1-2H3
InChIKeyRELNBEOOQOWHIA-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.00
Rot. Bonds5

About 2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 105085899) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID105085899
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1csc(C)n1
InChIInChI=1S/C14H17ClN2S/c1-3-16-13(14-9-18-10(2)17-14)8-11-5-4-6-12(15)7-11/h4-7,9,13,16H,3,8H2,1-2H3
InChIKeyRELNBEOOQOWHIA-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-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103043281
2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503819
N-[2-(3-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105089526
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
CID 105084395
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120883
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107891595
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419
2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 81122564

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 105085899) is 2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCNC(Cc1cccc(Cl)c1)c1csc(C)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is RELNBEOOQOWHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-3-16-13(14-9-18-10(2)17-14)8-11-5-4-6-12(15)7-11/h4-7,9,13,16H,3,8H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-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-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 105085899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).