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

C15H19ClN2OS — CID 105137382

IUPAC2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1scnc1C
InChIInChI=1S/C15H19ClN2OS/c1-4-17-13(15-10(2)18-9-20-15)8-11-7-12(16)5-6-14(11)19-3/h5-7,9,13,17H,4,8H2,1-3H3
InChIKeyRGGIQBQGCRMBTL-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.01
Rot. Bonds6

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

2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 105137382) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID105137382
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1scnc1C
InChIInChI=1S/C15H19ClN2OS/c1-4-17-13(15-10(2)18-9-20-15)8-11-7-12(16)5-6-14(11)19-3/h5-7,9,13,17H,4,8H2,1-3H3
InChIKeyRGGIQBQGCRMBTL-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405686
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530726
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105136543
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115844980
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 103405432
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105118074
[(5-chloro-2-methoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 105300843
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 105137382) is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cc(Cl)ccc1OC)c1scnc1C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is RGGIQBQGCRMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-4-17-13(15-10(2)18-9-20-15)8-11-7-12(16)5-6-14(11)19-3/h5-7,9,13,17H,4,8H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 310.85 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105137382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).