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

C11H13ClN2S2 — CID 115878972

IUPAC1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)s1)c1cscn1
InChIInChI=1S/C11H13ClN2S2/c1-7(9-5-15-6-13-9)14-8(2)10-3-4-11(12)16-10/h3-8,14H,1-2H3
InChIKeyRURNYSLZBTWODI-UHFFFAOYSA-N
MW272.83 g/mol
LogP4.27
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 115878972) has the molecular formula C11H13ClN2S2 and a molecular weight of 272.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID115878972
Molecular FormulaC11H13ClN2S2
Molecular Weight272.83 g/mol
Exact Mass272.02
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)s1)c1cscn1
InChIInChI=1S/C11H13ClN2S2/c1-7(9-5-15-6-13-9)14-8(2)10-3-4-11(12)16-10/h3-8,14H,1-2H3
InChIKeyRURNYSLZBTWODI-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
(1R)-N-[1-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 104865977
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879163
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905092
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
CID 115708442
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine (CID 115878972) is 1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine is CC(NC(C)c1ccc(Cl)s1)c1cscn1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is RURNYSLZBTWODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S2/c1-7(9-5-15-6-13-9)14-8(2)10-3-4-11(12)16-10/h3-8,14H,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 272.83 g/mol, XLogP of 4.27, 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-(1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 115878972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).