2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C15H18N2OS — CID 62753483

IUPAC2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCN(c1ccccc1)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C15H18N2OS/c1-2-17(11-7-4-3-5-8-11)15-16-12-9-6-10-13(18)14(12)19-15/h3-5,7-8,13,18H,2,6,9-10H2,1H3
InChIKeySTRQXFOIFKPCFI-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.67
Rot. Bonds3

About 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62753483) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62753483
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCN(c1ccccc1)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C15H18N2OS/c1-2-17(11-7-4-3-5-8-11)15-16-12-9-6-10-13(18)14(12)19-15/h3-5,7-8,13,18H,2,6,9-10H2,1H3
InChIKeySTRQXFOIFKPCFI-UHFFFAOYSA-N
XLogP3.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62753483) is 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCN(c1ccccc1)c1nc2c(s1)C(O)CCC2.
What is the InChIKey of 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is STRQXFOIFKPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-17(11-7-4-3-5-8-11)15-16-12-9-6-10-13(18)14(12)19-15/h3-5,7-8,13,18H,2,6,9-10H2,1H3.
What are the key properties of 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 274.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).