5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole

C15H12ClNOS — CID 171855018

IUPAC5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(OCc3ccc(Cl)cc3)ccc2s1
InChIInChI=1S/C15H12ClNOS/c1-10-17-14-8-13(6-7-15(14)19-10)18-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyMXYWECQQRZLUSE-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.84
Rot. Bonds3

About 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole

5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole (PubChem CID 171855018) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
PubChem CID171855018
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(OCc3ccc(Cl)cc3)ccc2s1
InChIInChI=1S/C15H12ClNOS/c1-10-17-14-8-13(6-7-15(14)19-10)18-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyMXYWECQQRZLUSE-UHFFFAOYSA-N
XLogP4.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
4-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189810
5-(chloromethyl)-2-methyl-1,3-benzothiazole
CID 2315866
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole
CID 134093726
2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
CID 89461022
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2-methyl-1,3-benzothiazole
CID 59240050
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
CID 173163409
5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine
CID 143028655
2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole
CID 139783415

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole (CID 171855018) is 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole is Cc1nc2cc(OCc3ccc(Cl)cc3)ccc2s1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole?
The InChIKey is MXYWECQQRZLUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c1-10-17-14-8-13(6-7-15(14)19-10)18-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole?
5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole has a molecular weight of 289.79 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 171855018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).