2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C14H14FNOS — CID 107931946

IUPAC2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCc1ccc(F)c(-c2nc3c(s2)C(O)CCC3)c1
InChIInChI=1S/C14H14FNOS/c1-8-5-6-10(15)9(7-8)14-16-11-3-2-4-12(17)13(11)18-14/h5-7,12,17H,2-4H2,1H3
InChIKeyZAAYVQBSGGKYKV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.63
Rot. Bonds1

About 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 107931946) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID107931946
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCc1ccc(F)c(-c2nc3c(s2)C(O)CCC3)c1
InChIInChI=1S/C14H14FNOS/c1-8-5-6-10(15)9(7-8)14-16-11-3-2-4-12(17)13(11)18-14/h5-7,12,17H,2-4H2,1H3
InChIKeyZAAYVQBSGGKYKV-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 107931946) is 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is Cc1ccc(F)c(-c2nc3c(s2)C(O)CCC3)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is ZAAYVQBSGGKYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-8-5-6-10(15)9(7-8)14-16-11-3-2-4-12(17)13(11)18-14/h5-7,12,17H,2-4H2,1H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 263.34 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 107931946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).