1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine

C11H13ClN2S2 — CID 62652298

IUPAC1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C11H13ClN2S2/c1-3-13-7(2)9-6-14-11(16-9)8-4-5-10(12)15-8/h4-7,13H,3H2,1-2H3
InChIKeyWJQHQNQUKPHNOQ-UHFFFAOYSA-N
MW272.83 g/mol
LogP4.20
Rot. Bonds4

About 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 62652298) has the molecular formula C11H13ClN2S2 and a molecular weight of 272.83 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID62652298
Molecular FormulaC11H13ClN2S2
Molecular Weight272.83 g/mol
Exact Mass272.02
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C11H13ClN2S2/c1-3-13-7(2)9-6-14-11(16-9)8-4-5-10(12)15-8/h4-7,13H,3H2,1-2H3
InChIKeyWJQHQNQUKPHNOQ-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine (CID 62652298) is 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(-c2ccc(Cl)s2)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is WJQHQNQUKPHNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S2/c1-3-13-7(2)9-6-14-11(16-9)8-4-5-10(12)15-8/h4-7,13H,3H2,1-2H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 272.83 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 62652298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).