6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine

C12H15FN2O2S — CID 79144140

IUPAC6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine
SMILESCOCCOCCNc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H15FN2O2S/c1-16-6-7-17-5-4-14-12-15-10-3-2-9(13)8-11(10)18-12/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyYUIOUBNVNPQHCL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.51
Rot. Bonds7

About 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine

6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 79144140) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine
PubChem CID79144140
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine
SMILESCOCCOCCNc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H15FN2O2S/c1-16-6-7-17-5-4-14-12-15-10-3-2-9(13)8-11(10)18-12/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyYUIOUBNVNPQHCL-UHFFFAOYSA-N
XLogP2.51
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine 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

N-(6-fluoro-1,3-benzothiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79144623
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate
CID 83204723
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193008
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115427
6-fluoro-N-(3-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113487886
6-fluoro-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79143888
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
6-chloro-N-(2-ethoxyethyl)-1,3-benzothiazol-2-amine
CID 79529020

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine (CID 79144140) is 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine is COCCOCCNc1nc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is YUIOUBNVNPQHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-16-6-7-17-5-4-14-12-15-10-3-2-9(13)8-11(10)18-12/h2-3,8H,4-7H2,1H3,(H,14,15).
What are the key properties of 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine?
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 270.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79144140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).