6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride

C15H19ClN2O2S — CID 177304804

IUPAC6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride
SMILESCCOc1cccc(C2(N)CCc3[nH]c(=O)sc3C2)c1.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-2-19-11-5-3-4-10(8-11)15(16)7-6-12-13(9-15)20-14(18)17-12;/h3-5,8H,2,6-7,9,16H2,1H3,(H,17,18);1H
InChIKeyHBIBOTDWMNZPQW-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.60
Rot. Bonds3

About 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride

6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride (PubChem CID 177304804) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride
PubChem CID177304804
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride
SMILESCCOc1cccc(C2(N)CCc3[nH]c(=O)sc3C2)c1.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-2-19-11-5-3-4-10(8-11)15(16)7-6-12-13(9-15)20-14(18)17-12;/h3-5,8H,2,6-7,9,16H2,1H3,(H,17,18);1H
InChIKeyHBIBOTDWMNZPQW-UHFFFAOYSA-N
XLogP2.60
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride?
The IUPAC name of 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride (CID 177304804) is 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride.
What is the SMILES notation for 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride?
The canonical SMILES for 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride is CCOc1cccc(C2(N)CCc3[nH]c(=O)sc3C2)c1.Cl.
What is the InChIKey of 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride?
The InChIKey is HBIBOTDWMNZPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S.ClH/c1-2-19-11-5-3-4-10(8-11)15(16)7-6-12-13(9-15)20-14(18)17-12;/h3-5,8H,2,6-7,9,16H2,1H3,(H,17,18);1H.
What are the key properties of 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride?
6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride is sourced from PubChem (CID 177304804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).