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

C15H17FN2OS — CID 62753711

IUPAC2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCN(c1cccc(F)c1)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C15H17FN2OS/c1-2-18(11-6-3-5-10(16)9-11)15-17-12-7-4-8-13(19)14(12)20-15/h3,5-6,9,13,19H,2,4,7-8H2,1H3
InChIKeyNTOWOKRIUVMHDE-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.81
Rot. Bonds3

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

2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62753711) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62753711
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCN(c1cccc(F)c1)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C15H17FN2OS/c1-2-18(11-6-3-5-10(16)9-11)15-17-12-7-4-8-13(19)14(12)20-15/h3,5-6,9,13,19H,2,4,7-8H2,1H3
InChIKeyNTOWOKRIUVMHDE-UHFFFAOYSA-N
XLogP3.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62753711) is 2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCN(c1cccc(F)c1)c1nc2c(s1)C(O)CCC2.
What is the InChIKey of 2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is NTOWOKRIUVMHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-2-18(11-6-3-5-10(16)9-11)15-17-12-7-4-8-13(19)14(12)20-15/h3,5-6,9,13,19H,2,4,7-8H2,1H3.
What are the key properties of 2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 292.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).