5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole

C14H9F2NOS — CID 175748465

IUPAC5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole
SMILESCc1c(Oc2cc(F)cc(F)c2)ccc2sncc12
InChIInChI=1S/C14H9F2NOS/c1-8-12-7-17-19-14(12)3-2-13(8)18-11-5-9(15)4-10(16)6-11/h2-7H,1H3
InChIKeyUDWLYUXAJMKQNT-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.68
Rot. Bonds2

About 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole

5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole (PubChem CID 175748465) has the molecular formula C14H9F2NOS and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole.

Molecular Properties

Compound Name5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole
PubChem CID175748465
Molecular FormulaC14H9F2NOS
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole
SMILESCc1c(Oc2cc(F)cc(F)c2)ccc2sncc12
InChIInChI=1S/C14H9F2NOS/c1-8-12-7-17-19-14(12)3-2-13(8)18-11-5-9(15)4-10(16)6-11/h2-7H,1H3
InChIKeyUDWLYUXAJMKQNT-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3,5-difluorophenoxy)-4-methyl-1,2-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

4-Methyl-5-[6-(1-naphthyloxy)hexyl]isothiazole
CID 5272777
Benzenamine, 4-(1,2-benzisothiazol-5-yloxy)-3-(trifluoromethyl)-
CID 13269402
1,2-Benzisothiazole, 5-[4-isocyanato-2-(trifluoromethyl)phenoxy]-
CID 23320449
6-(3,5-Difluorophenoxy)-7-methyl-1,2-benzothiazole
CID 175746116
7-Methoxy-4-(trifluoromethyl)-1,2-benzothiazole
CID 119086449
7-(Trifluoromethoxy)benzo[d]isothiazole
CID 121231920
5-(Difluoromethoxy)-1,2-benzothiazole
CID 121231922
5-Methoxybenzo[d]isothiazole
CID 19384362
4-Benzyloxy-1,2-benzisothiazole
CID 20349938
7-Methoxybenzo[e][1,2]benzothiazole
CID 66845923
8-Methoxybenzo[e][1,2]benzothiazole
CID 66846362
7-Ethoxybenzo[e][1,2]benzothiazole
CID 68409112

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole?
The IUPAC name of 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole (CID 175748465) is 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole.
What is the SMILES notation for 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole?
The canonical SMILES for 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole is Cc1c(Oc2cc(F)cc(F)c2)ccc2sncc12.
What is the InChIKey of 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole?
The InChIKey is UDWLYUXAJMKQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NOS/c1-8-12-7-17-19-14(12)3-2-13(8)18-11-5-9(15)4-10(16)6-11/h2-7H,1H3.
What are the key properties of 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole?
5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole has a molecular weight of 277.30 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenoxy)-4-methyl-1,2-benzothiazole is sourced from PubChem (CID 175748465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).