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

C15H16N2O2S — CID 2306436

IUPAC2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H16N2O2S/c18-14(10-19-11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)20-15/h1-3,6-7H,4-5,8-10H2,(H,16,17,18)
InChIKeyUSAGXIHLUBRHGN-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.04
Rot. Bonds4

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

2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2306436) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID2306436
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H16N2O2S/c18-14(10-19-11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)20-15/h1-3,6-7H,4-5,8-10H2,(H,16,17,18)
InChIKeyUSAGXIHLUBRHGN-UHFFFAOYSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 2306436) is 2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccccc1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is USAGXIHLUBRHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(10-19-11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)20-15/h1-3,6-7H,4-5,8-10H2,(H,16,17,18).
What are the key properties of 2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 288.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2306436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).