6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole

C14H10ClNOS — CID 134093726

IUPAC6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(Oc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C14H10ClNOS/c1-9-16-13-7-6-12(8-14(13)18-9)17-11-4-2-10(15)3-5-11/h2-8H,1H3
InChIKeyRLMXBXKZUIROIC-UHFFFAOYSA-N
MW275.76 g/mol
LogP5.05
Rot. Bonds2

About 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole

6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole (PubChem CID 134093726) has the molecular formula C14H10ClNOS and a molecular weight of 275.76 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole
PubChem CID134093726
Molecular FormulaC14H10ClNOS
Molecular Weight275.76 g/mol
Exact Mass275.02
IUPAC Name6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(Oc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C14H10ClNOS/c1-9-16-13-7-6-12(8-14(13)18-9)17-11-4-2-10(15)3-5-11/h2-8H,1H3
InChIKeyRLMXBXKZUIROIC-UHFFFAOYSA-N
XLogP5.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.76
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole 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

1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol
CID 163935562
5-(3-chloro-4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 63878978
6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
CID 139337544
2-methyl-6-(2-methylpropoxy)-1,3-benzothiazole
CID 58125430
5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
CID 171855018
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
CID 138807740
1-[(2-methyl-1,3-benzothiazol-6-yl)oxy]butan-2-ol
CID 90124996
2-methyl-6-[[(2S)-oxiran-2-yl]methoxy]-1,3-benzothiazole
CID 94044665
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
diethyl sulfate;6-ethoxy-2-methyl-1,3-benzothiazole
CID 157280824
3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45097023

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole?
The IUPAC name of 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole (CID 134093726) is 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole?
The canonical SMILES for 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole is Cc1nc2ccc(Oc3ccc(Cl)cc3)cc2s1.
What is the InChIKey of 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole?
The InChIKey is RLMXBXKZUIROIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNOS/c1-9-16-13-7-6-12(8-14(13)18-9)17-11-4-2-10(15)3-5-11/h2-8H,1H3.
What are the key properties of 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole?
6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole has a molecular weight of 275.76 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 134093726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).