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

C17H13F2N5O2S — CID 87943847

IUPAC2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
SMILESCOc1c(Nc2nc3c(ccc4c3ncn4C)s2)cc(C(N)=O)c(F)c1F
InChIInChI=1S/C17H13F2N5O2S/c1-24-6-21-13-9(24)3-4-10-14(13)23-17(27-10)22-8-5-7(16(20)25)11(18)12(19)15(8)26-2/h3-6H,1-2H3,(H2,20,25)(H,22,23)
InChIKeyVYFPGXYQMOOSAC-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.31
Rot. Bonds4

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

2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide (PubChem CID 87943847) has the molecular formula C17H13F2N5O2S and a molecular weight of 389.39 g/mol. Its IUPAC name is 2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
PubChem CID87943847
Molecular FormulaC17H13F2N5O2S
Molecular Weight389.39 g/mol
Exact Mass389.08
IUPAC Name2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
SMILESCOc1c(Nc2nc3c(ccc4c3ncn4C)s2)cc(C(N)=O)c(F)c1F
InChIInChI=1S/C17H13F2N5O2S/c1-24-6-21-13-9(24)3-4-10-14(13)23-17(27-10)22-8-5-7(16(20)25)11(18)12(19)15(8)26-2/h3-6H,1-2H3,(H2,20,25)(H,22,23)
InChIKeyVYFPGXYQMOOSAC-UHFFFAOYSA-N
XLogP3.31
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-Fluoro-N-[4-methoxy-7-(2-methyl-imidazol-1-yl)-benzothiazol-2-yl]-benzamide
CID 22283138
N-[8-methyl-5-(methylamino)imidazo[4,5-e][1,3]benzothiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 58801600
3-(3-(1-methyl-1H-benzo[d]imidazol-4-yl)thioureido)-4-(trifluoromethoxy)benzamide
CID 86665412
3-[[4-(1-Methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide
CID 87941809
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87943934
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87943935
N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87943938
N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944155
3-Fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
CID 87944203
4-Methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)benzamide;hydrochloride
CID 87944375
4-Methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)benzamide
CID 87944376
3-[(6-Methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzamide;hydrochloride
CID 87944411

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?
The IUPAC name of 2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide (CID 87943847) is 2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide.
What is the SMILES notation for 2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?
The canonical SMILES for 2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide is COc1c(Nc2nc3c(ccc4c3ncn4C)s2)cc(C(N)=O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?
The InChIKey is VYFPGXYQMOOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2S/c1-24-6-21-13-9(24)3-4-10-14(13)23-17(27-10)22-8-5-7(16(20)25)11(18)12(19)15(8)26-2/h3-6H,1-2H3,(H2,20,25)(H,22,23).
What are the key properties of 2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?
2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide has a molecular weight of 389.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide is sourced from PubChem (CID 87943847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).