2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride

C13H14ClN3O2S — CID 23368361

IUPAC2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCc1ncc(C(N)COc2noc3ccccc23)s1.Cl
InChIInChI=1S/C13H13N3O2S.ClH/c1-8-15-6-12(19-8)10(14)7-17-13-9-4-2-3-5-11(9)18-16-13;/h2-6,10H,7,14H2,1H3;1H
InChIKeyNCNUHSHBEFIMFW-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.09
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride

2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride (PubChem CID 23368361) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride
PubChem CID23368361
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCc1ncc(C(N)COc2noc3ccccc23)s1.Cl
InChIInChI=1S/C13H13N3O2S.ClH/c1-8-15-6-12(19-8)10(14)7-17-13-9-4-2-3-5-11(9)18-16-13;/h2-6,10H,7,14H2,1H3;1H
InChIKeyNCNUHSHBEFIMFW-UHFFFAOYSA-N
XLogP3.09
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride (CID 23368361) is 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride is Cc1ncc(C(N)COc2noc3ccccc23)s1.Cl.
What is the InChIKey of 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is NCNUHSHBEFIMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S.ClH/c1-8-15-6-12(19-8)10(14)7-17-13-9-4-2-3-5-11(9)18-16-13;/h2-6,10H,7,14H2,1H3;1H.
What are the key properties of 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride?
2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 311.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 23368361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).