4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide

C19H15FN4O2S — CID 22283138

IUPAC4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(-n2ccnc2C)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C19H15FN4O2S/c1-11-21-9-10-24(11)14-7-8-15(26-2)16-17(14)27-19(22-16)23-18(25)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,22,23,25)
InChIKeyYAKMQISUPRHAFM-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.19
Rot. Bonds4

About 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide

4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 22283138) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID22283138
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(-n2ccnc2C)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C19H15FN4O2S/c1-11-21-9-10-24(11)14-7-8-15(26-2)16-17(14)27-19(22-16)23-18(25)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,22,23,25)
InChIKeyYAKMQISUPRHAFM-UHFFFAOYSA-N
XLogP4.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide (CID 22283138) is 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide is COc1ccc(-n2ccnc2C)c2sc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is YAKMQISUPRHAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-11-21-9-10-24(11)14-7-8-15(26-2)16-17(14)27-19(22-16)23-18(25)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,22,23,25).
What are the key properties of 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide?
4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 382.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-methoxy-7-(2-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 22283138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).