1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride

C11H13ClN2S — CID 50988112

IUPAC1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-8(12)11-13-10(7-14-11)9-5-3-2-4-6-9;/h2-8H,12H2,1H3;1H
InChIKeyUJSZAADERRZQQE-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.25
Rot. Bonds2

About 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride

1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride (PubChem CID 50988112) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
PubChem CID50988112
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-8(12)11-13-10(7-14-11)9-5-3-2-4-6-9;/h2-8H,12H2,1H3;1H
InChIKeyUJSZAADERRZQQE-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride (CID 50988112) is 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride is CC(N)c1nc(-c2ccccc2)cs1.Cl.
What is the InChIKey of 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is UJSZAADERRZQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.ClH/c1-8(12)11-13-10(7-14-11)9-5-3-2-4-6-9;/h2-8H,12H2,1H3;1H.
What are the key properties of 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 50988112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).