6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole

C18H11F3N2OS2 — CID 102459680

IUPAC6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ncc(-c4ccc(C(F)(F)F)cc4)s3)sc2c1
InChIInChI=1S/C18H11F3N2OS2/c1-24-12-6-7-13-14(8-12)25-17(23-13)16-22-9-15(26-16)10-2-4-11(5-3-10)18(19,20)21/h2-9H,1H3
InChIKeyIIIHYODYISBDTP-UHFFFAOYSA-N
MW392.43 g/mol
LogP6.11
Rot. Bonds3

About 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole

6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole (PubChem CID 102459680) has the molecular formula C18H11F3N2OS2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole
PubChem CID102459680
Molecular FormulaC18H11F3N2OS2
Molecular Weight392.43 g/mol
Exact Mass392.03
IUPAC Name6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ncc(-c4ccc(C(F)(F)F)cc4)s3)sc2c1
InChIInChI=1S/C18H11F3N2OS2/c1-24-12-6-7-13-14(8-12)25-17(23-13)16-22-9-15(26-16)10-2-4-11(5-3-10)18(19,20)21/h2-9H,1H3
InChIKeyIIIHYODYISBDTP-UHFFFAOYSA-N
XLogP6.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-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

4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylaniline
CID 11129817
2-(2-Fluorophenyl)-6-Methoxy-1,3-Benzothiazole
CID 25232189
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
CID 25210958
4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzothiazol-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
CID 25210959
2-(4-Fluorophenyl)-6-methoxy-1,3-benzothiazole
CID 12179987
4-[6-(6-Methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]aniline
CID 44428897
4-[(E)-2-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 18830136
6-Methoxy-2-m-tolylbenzo[d]thiazole
CID 25232186
4-[(E)-2-(3-heptyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 57396836
6-methoxy-N-[(4-pyridin-4-ylphenyl)methyl]-1,3-benzothiazole-2-carboxamide
CID 155538802
2-[2-[2-Chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-6-methoxy-1,3-benzothiazole
CID 155548090
6-Methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 5132810

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole (CID 102459680) is 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole is COc1ccc2nc(-c3ncc(-c4ccc(C(F)(F)F)cc4)s3)sc2c1.
What is the InChIKey of 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole?
The InChIKey is IIIHYODYISBDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2OS2/c1-24-12-6-7-13-14(8-12)25-17(23-13)16-22-9-15(26-16)10-2-4-11(5-3-10)18(19,20)21/h2-9H,1H3.
What are the key properties of 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole?
6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole has a molecular weight of 392.43 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 102459680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).