N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

C17H13F3N4OS — CID 87943935

IUPACN-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C17H13F3N4OS/c1-24-8-21-14-11(24)4-6-13-15(14)23-16(26-13)22-10-7-9(17(18,19)20)3-5-12(10)25-2/h3-8H,1-2H3,(H,22,23)
InChIKeyHTTMYAYVFUHXTF-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.95
Rot. Bonds3

About N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 87943935) has the molecular formula C17H13F3N4OS and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID87943935
Molecular FormulaC17H13F3N4OS
Molecular Weight378.38 g/mol
Exact Mass378.08
IUPAC NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C17H13F3N4OS/c1-24-8-21-14-11(24)4-6-13-15(14)23-16(26-13)22-10-7-9(17(18,19)20)3-5-12(10)25-2/h3-8H,1-2H3,(H,22,23)
InChIKeyHTTMYAYVFUHXTF-UHFFFAOYSA-N
XLogP4.95
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (CID 87943935) is N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is COc1ccc(C(F)(F)F)cc1Nc1nc2c(ccc3c2ncn3C)s1.
What is the InChIKey of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is HTTMYAYVFUHXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS/c1-24-8-21-14-11(24)4-6-13-15(14)23-16(26-13)22-10-7-9(17(18,19)20)3-5-12(10)25-2/h3-8H,1-2H3,(H,22,23).
What are the key properties of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 378.38 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 87943935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).