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

C14H14FNOS — CID 64976442

IUPAC2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCc1ccc(-c2nc3c(s2)CCCC3O)cc1F
InChIInChI=1S/C14H14FNOS/c1-8-5-6-9(7-10(8)15)14-16-13-11(17)3-2-4-12(13)18-14/h5-7,11,17H,2-4H2,1H3
InChIKeyAWCVJZFRGTUVKI-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.63
Rot. Bonds1

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

2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976442) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976442
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCc1ccc(-c2nc3c(s2)CCCC3O)cc1F
InChIInChI=1S/C14H14FNOS/c1-8-5-6-9(7-10(8)15)14-16-13-11(17)3-2-4-12(13)18-14/h5-7,11,17H,2-4H2,1H3
InChIKeyAWCVJZFRGTUVKI-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976625
2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976443
2-(3-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976587
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976505
2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976502
2-(4-bromo-3-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 81440636
2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975528
4-[4-(methylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzene-1,2-diol
CID 136889181
2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976375
2-(3,5-dichloro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79780582
2-(4-bromo-3,5-dimethylphenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 114330900
2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976016

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976442) is 2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is Cc1ccc(-c2nc3c(s2)CCCC3O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is AWCVJZFRGTUVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-8-5-6-9(7-10(8)15)14-16-13-11(17)3-2-4-12(13)18-14/h5-7,11,17H,2-4H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-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-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).