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

C11H14N2S2 — CID 62653180

IUPACN-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(C)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C11H14N2S2/c1-3-12-8(2)10-6-13-11(15-10)9-4-5-14-7-9/h4-8,12H,3H2,1-2H3
InChIKeyHFRXHXFDARSUNF-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.54
Rot. Bonds4

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

N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 62653180) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID62653180
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC NameN-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(C)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C11H14N2S2/c1-3-12-8(2)10-6-13-11(15-10)9-4-5-14-7-9/h4-8,12H,3H2,1-2H3
InChIKeyHFRXHXFDARSUNF-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine (CID 62653180) is N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine is CCNC(C)c1cnc(-c2ccsc2)s1.
What is the InChIKey of N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is HFRXHXFDARSUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-3-12-8(2)10-6-13-11(15-10)9-4-5-14-7-9/h4-8,12H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine?
N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 238.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 62653180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).