2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide

C20H16N2O3S — CID 7706760

IUPAC2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2nc3ccccc3s2)cc1)NCc1ccco1
InChIInChI=1S/C20H16N2O3S/c23-19(21-12-16-4-3-11-24-16)13-25-15-9-7-14(8-10-15)20-22-17-5-1-2-6-18(17)26-20/h1-11H,12-13H2,(H,21,23)
InChIKeyCYMQJQKAJHYFQZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.25
Rot. Bonds6

About 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide

2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide (PubChem CID 7706760) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide
PubChem CID7706760
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2nc3ccccc3s2)cc1)NCc1ccco1
InChIInChI=1S/C20H16N2O3S/c23-19(21-12-16-4-3-11-24-16)13-25-15-9-7-14(8-10-15)20-22-17-5-1-2-6-18(17)26-20/h1-11H,12-13H2,(H,21,23)
InChIKeyCYMQJQKAJHYFQZ-UHFFFAOYSA-N
XLogP4.25
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide (CID 7706760) is 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide is O=C(COc1ccc(-c2nc3ccccc3s2)cc1)NCc1ccco1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CYMQJQKAJHYFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-19(21-12-16-4-3-11-24-16)13-25-15-9-7-14(8-10-15)20-22-17-5-1-2-6-18(17)26-20/h1-11H,12-13H2,(H,21,23).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide?
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 7706760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).