2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C14H13ClFNOS — CID 64976553

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(Cc3c(F)cccc3Cl)nc21
InChIInChI=1S/C14H13ClFNOS/c15-9-3-1-4-10(16)8(9)7-13-17-14-11(18)5-2-6-12(14)19-13/h1,3-4,11,18H,2,5-7H2
InChIKeyGVIYLDAQKAMMLD-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.90
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976553) has the molecular formula C14H13ClFNOS and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976553
Molecular FormulaC14H13ClFNOS
Molecular Weight297.78 g/mol
Exact Mass297.04
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(Cc3c(F)cccc3Cl)nc21
InChIInChI=1S/C14H13ClFNOS/c15-9-3-1-4-10(16)8(9)7-13-17-14-11(18)5-2-6-12(14)19-13/h1,3-4,11,18H,2,5-7H2
InChIKeyGVIYLDAQKAMMLD-UHFFFAOYSA-N
XLogP3.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-6-fluorophenyl)methyl]-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-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976309
3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 65176934
2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975581
3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 102944096
2-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976625
2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 65131458
2-(3-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976587
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79413051
2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine
CID 63023527
N-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840949
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976442

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976553) is 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is OC1CCCc2sc(Cc3c(F)cccc3Cl)nc21.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is GVIYLDAQKAMMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNOS/c15-9-3-1-4-10(16)8(9)7-13-17-14-11(18)5-2-6-12(14)19-13/h1,3-4,11,18H,2,5-7H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 297.78 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).