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

C17H14FN5O2S — CID 87944203

IUPAC3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
SMILESCOc1c(F)cc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C17H14FN5O2S/c1-23-7-20-13-11(23)3-4-12-14(13)22-17(26-12)21-10-6-8(16(19)24)5-9(18)15(10)25-2/h3-7H,1-2H3,(H2,19,24)(H,21,22)
InChIKeyURFHJUUDWKLWEX-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.17
Rot. Bonds4

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

3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide (PubChem CID 87944203) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
PubChem CID87944203
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC Name3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
SMILESCOc1c(F)cc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C17H14FN5O2S/c1-23-7-20-13-11(23)3-4-12-14(13)22-17(26-12)21-10-6-8(16(19)24)5-9(18)15(10)25-2/h3-7H,1-2H3,(H2,19,24)(H,21,22)
InChIKeyURFHJUUDWKLWEX-UHFFFAOYSA-N
XLogP3.17
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide (CID 87944203) is 3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide is COc1c(F)cc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.
What is the InChIKey of 3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?
The InChIKey is URFHJUUDWKLWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S/c1-23-7-20-13-11(23)3-4-12-14(13)22-17(26-12)21-10-6-8(16(19)24)5-9(18)15(10)25-2/h3-7H,1-2H3,(H2,19,24)(H,21,22).
What are the key properties of 3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide?
3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide has a molecular weight of 371.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide is sourced from PubChem (CID 87944203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).