4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

C16H13FN2O2S — CID 7172902

IUPAC4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C16H13FN2O2S/c1-9-3-8-12(21-2)13-14(9)22-16(18-13)19-15(20)10-4-6-11(17)7-5-10/h3-8H,1-2H3,(H,18,19,20)
InChIKeyHTMQYXKKZNIZRV-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.00
Rot. Bonds3

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

4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7172902) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7172902
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C16H13FN2O2S/c1-9-3-8-12(21-2)13-14(9)22-16(18-13)19-15(20)10-4-6-11(17)7-5-10/h3-8H,1-2H3,(H,18,19,20)
InChIKeyHTMQYXKKZNIZRV-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (CID 7172902) is 4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is COc1ccc(C)c2sc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HTMQYXKKZNIZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-9-3-8-12(21-2)13-14(9)22-16(18-13)19-15(20)10-4-6-11(17)7-5-10/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7172902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).