3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide

C17H12F3N5O2S — CID 87944412

IUPAC3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide
SMILESCn1cnc2c3nc(Nc4cc(C(N)=O)ccc4OC(F)(F)F)sc3ccc21
InChIInChI=1S/C17H12F3N5O2S/c1-25-7-22-13-10(25)3-5-12-14(13)24-16(28-12)23-9-6-8(15(21)26)2-4-11(9)27-17(18,19)20/h2-7H,1H3,(H2,21,26)(H,23,24)
InChIKeyRHPLLYXPGUZHLV-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.92
Rot. Bonds4

About 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide

3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide (PubChem CID 87944412) has the molecular formula C17H12F3N5O2S and a molecular weight of 407.38 g/mol. Its IUPAC name is 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide
PubChem CID87944412
Molecular FormulaC17H12F3N5O2S
Molecular Weight407.38 g/mol
Exact Mass407.07
IUPAC Name3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide
SMILESCn1cnc2c3nc(Nc4cc(C(N)=O)ccc4OC(F)(F)F)sc3ccc21
InChIInChI=1S/C17H12F3N5O2S/c1-25-7-22-13-10(25)3-5-12-14(13)24-16(28-12)23-9-6-8(15(21)26)2-4-11(9)27-17(18,19)20/h2-7H,1H3,(H2,21,26)(H,23,24)
InChIKeyRHPLLYXPGUZHLV-UHFFFAOYSA-N
XLogP3.92
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide 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 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide (CID 87944412) is 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide is Cn1cnc2c3nc(Nc4cc(C(N)=O)ccc4OC(F)(F)F)sc3ccc21.
What is the InChIKey of 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide?
The InChIKey is RHPLLYXPGUZHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2S/c1-25-7-22-13-10(25)3-5-12-14(13)24-16(28-12)23-9-6-8(15(21)26)2-4-11(9)27-17(18,19)20/h2-7H,1H3,(H2,21,26)(H,23,24).
What are the key properties of 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide?
3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide has a molecular weight of 407.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 87944412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).