1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

C12H15ClN2S2 — CID 43692601

IUPAC1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2ccc(Cl)s2)cs1
InChIInChI=1S/C12H15ClN2S2/c1-7(10-6-16-9(3)15-10)14-8(2)11-4-5-12(13)17-11/h4-8,14H,1-3H3
InChIKeyOQCKWBWCPJOWLU-UHFFFAOYSA-N
MW286.85 g/mol
LogP4.58
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 43692601) has the molecular formula C12H15ClN2S2 and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID43692601
Molecular FormulaC12H15ClN2S2
Molecular Weight286.85 g/mol
Exact Mass286.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2ccc(Cl)s2)cs1
InChIInChI=1S/C12H15ClN2S2/c1-7(10-6-16-9(3)15-10)14-8(2)11-4-5-12(13)17-11/h4-8,14H,1-3H3
InChIKeyOQCKWBWCPJOWLU-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 43692601) is 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)NC(C)c2ccc(Cl)s2)cs1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is OQCKWBWCPJOWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S2/c1-7(10-6-16-9(3)15-10)14-8(2)11-4-5-12(13)17-11/h4-8,14H,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 286.85 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43692601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).