(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid

C8H3Cl2FN2O2S — CID 18916434

IUPAC(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid
SMILESO=C(O)Nc1c(F)cc(Cl)c2nc(Cl)sc12
InChIInChI=1S/C8H3Cl2FN2O2S/c9-2-1-3(11)5(13-8(14)15)6-4(2)12-7(10)16-6/h1,13H,(H,14,15)
InChIKeyXCZMRQZTQHXLGO-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.83
Rot. Bonds1

About (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid

(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid (PubChem CID 18916434) has the molecular formula C8H3Cl2FN2O2S and a molecular weight of 281.10 g/mol. Its IUPAC name is (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid.

Molecular Properties

Compound Name(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid
PubChem CID18916434
Molecular FormulaC8H3Cl2FN2O2S
Molecular Weight281.10 g/mol
Exact Mass279.93
IUPAC Name(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid
SMILESO=C(O)Nc1c(F)cc(Cl)c2nc(Cl)sc12
InChIInChI=1S/C8H3Cl2FN2O2S/c9-2-1-3(11)5(13-8(14)15)6-4(2)12-7(10)16-6/h1,13H,(H,14,15)
InChIKeyXCZMRQZTQHXLGO-UHFFFAOYSA-N
XLogP3.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid?
The IUPAC name of (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid (CID 18916434) is (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid.
What is the SMILES notation for (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid?
The canonical SMILES for (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid is O=C(O)Nc1c(F)cc(Cl)c2nc(Cl)sc12.
What is the InChIKey of (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid?
The InChIKey is XCZMRQZTQHXLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2O2S/c9-2-1-3(11)5(13-8(14)15)6-4(2)12-7(10)16-6/h1,13H,(H,14,15).
What are the key properties of (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid?
(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid has a molecular weight of 281.10 g/mol, XLogP of 3.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamic acid is sourced from PubChem (CID 18916434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).