5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole

C15H10ClF2NOS — CID 138725747

IUPAC5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole
SMILESCc1c(F)ccc(OCc2nc3cc(Cl)ccc3s2)c1F
InChIInChI=1S/C15H10ClF2NOS/c1-8-10(17)3-4-12(15(8)18)20-7-14-19-11-6-9(16)2-5-13(11)21-14/h2-6H,7H2,1H3
InChIKeyVKTIAEDRKUJKGX-UHFFFAOYSA-N
MW325.77 g/mol
LogP5.12
Rot. Bonds3

About 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole

5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole (PubChem CID 138725747) has the molecular formula C15H10ClF2NOS and a molecular weight of 325.77 g/mol. Its IUPAC name is 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole
PubChem CID138725747
Molecular FormulaC15H10ClF2NOS
Molecular Weight325.77 g/mol
Exact Mass325.01
IUPAC Name5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole
SMILESCc1c(F)ccc(OCc2nc3cc(Cl)ccc3s2)c1F
InChIInChI=1S/C15H10ClF2NOS/c1-8-10(17)3-4-12(15(8)18)20-7-14-19-11-6-9(16)2-5-13(11)21-14/h2-6H,7H2,1H3
InChIKeyVKTIAEDRKUJKGX-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.77
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)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

3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-6-fluoro-2-methylbenzamide;ethane
CID 143542920
methyl N-[3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzoyl]carbamate
CID 90153603
2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorophenyl]-N'-hydroxypropanimidamide
CID 173112054
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-N-(dimethylcarbamoyl)-2,6-difluorobenzamide
CID 90153610
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-fluoro-N-methyl-6-(4-methylpiperazin-1-yl)benzamide
CID 138726027
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-N-[(3,5-ditert-butylphenyl)-hydroxymethyl]-2,6-difluorobenzamide
CID 138726228
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluoro-N-methylbenzamide;3,5-ditert-butylbenzaldehyde
CID 144625831
3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237012
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluoro-N-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 71767152
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluoro-N-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide
CID 71766855
2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237268
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluoro-N-[[methyl-[2-methylidene-5-(trifluoromethyl)hepta-3,5-dienyl]amino]methyl]benzamide
CID 123523671

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole?
The IUPAC name of 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole (CID 138725747) is 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole?
The canonical SMILES for 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole is Cc1c(F)ccc(OCc2nc3cc(Cl)ccc3s2)c1F.
What is the InChIKey of 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole?
The InChIKey is VKTIAEDRKUJKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NOS/c1-8-10(17)3-4-12(15(8)18)20-7-14-19-11-6-9(16)2-5-13(11)21-14/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole?
5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole has a molecular weight of 325.77 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,4-difluoro-3-methylphenoxy)methyl]-1,3-benzothiazole is sourced from PubChem (CID 138725747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).