N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide

C14H17FN2O2S — CID 5222182

IUPACN-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
SMILESCOCCn1/c(=N/C(=O)C(C)C)sc2cc(F)ccc21
InChIInChI=1S/C14H17FN2O2S/c1-9(2)13(18)16-14-17(6-7-19-3)11-5-4-10(15)8-12(11)20-14/h4-5,8-9H,6-7H2,1-3H3/b16-14-
InChIKeyZIBUGODYCYREAI-PEZBUJJGSA-N
MW296.37 g/mol
LogP2.57
Rot. Bonds4

About N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide

N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide (PubChem CID 5222182) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
PubChem CID5222182
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC NameN-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
SMILESCOCCn1/c(=N/C(=O)C(C)C)sc2cc(F)ccc21
InChIInChI=1S/C14H17FN2O2S/c1-9(2)13(18)16-14-17(6-7-19-3)11-5-4-10(15)8-12(11)20-14/h4-5,8-9H,6-7H2,1-3H3/b16-14-
InChIKeyZIBUGODYCYREAI-PEZBUJJGSA-N
XLogP2.57
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide?
The IUPAC name of N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide (CID 5222182) is N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide.
What is the SMILES notation for N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide?
The canonical SMILES for N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide is COCCn1/c(=N/C(=O)C(C)C)sc2cc(F)ccc21.
What is the InChIKey of N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide?
The InChIKey is ZIBUGODYCYREAI-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-9(2)13(18)16-14-17(6-7-19-3)11-5-4-10(15)8-12(11)20-14/h4-5,8-9H,6-7H2,1-3H3/b16-14-.
What are the key properties of N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide?
N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide has a molecular weight of 296.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide is sourced from PubChem (CID 5222182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).