2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C15H15FN2O2S — CID 7948483

IUPAC2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H15FN2O2S/c16-10-5-7-11(8-6-10)20-9-14(19)18-15-17-12-3-1-2-4-13(12)21-15/h5-8H,1-4,9H2,(H,17,18,19)
InChIKeySQXCSUNVCKHKFL-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.18
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7948483) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID7948483
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H15FN2O2S/c16-10-5-7-11(8-6-10)20-9-14(19)18-15-17-12-3-1-2-4-13(12)21-15/h5-8H,1-4,9H2,(H,17,18,19)
InChIKeySQXCSUNVCKHKFL-UHFFFAOYSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 7948483) is 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccc(F)cc1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SQXCSUNVCKHKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-10-5-7-11(8-6-10)20-9-14(19)18-15-17-12-3-1-2-4-13(12)21-15/h5-8H,1-4,9H2,(H,17,18,19).
What are the key properties of 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 306.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7948483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).