2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

C12H15ClN2S2 — CID 114031624

IUPAC2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1cnc(C)s1
InChIInChI=1S/C12H15ClN2S2/c1-3-14-10(11-7-15-8(2)16-11)6-9-4-5-12(13)17-9/h4-5,7,10,14H,3,6H2,1-2H3
InChIKeyZDSJWZIXZNDRPM-UHFFFAOYSA-N
MW286.85 g/mol
LogP4.06
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 114031624) has the molecular formula C12H15ClN2S2 and a molecular weight of 286.85 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID114031624
Molecular FormulaC12H15ClN2S2
Molecular Weight286.85 g/mol
Exact Mass286.04
IUPAC Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1cnc(C)s1
InChIInChI=1S/C12H15ClN2S2/c1-3-14-10(11-7-15-8(2)16-11)6-9-4-5-12(13)17-9/h4-5,7,10,14H,3,6H2,1-2H3
InChIKeyZDSJWZIXZNDRPM-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105135284
N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031215
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115841690
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031628
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 115841428
1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107102194
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107992590
N-ethyl-5,5-dimethyl-1-(2-methyl-1,3-thiazol-5-yl)hex-3-yn-1-amine
CID 114190580
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 114031624) is 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is CCNC(Cc1ccc(Cl)s1)c1cnc(C)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is ZDSJWZIXZNDRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S2/c1-3-14-10(11-7-15-8(2)16-11)6-9-4-5-12(13)17-9/h4-5,7,10,14H,3,6H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 286.85 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114031624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).