N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

C17H18N2O3S — CID 8874355

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NC1=NCCS1
InChIInChI=1S/C17H18N2O3S/c20-16(19-17-18-7-8-23-17)10-21-11-5-6-15-13(9-11)12-3-1-2-4-14(12)22-15/h5-6,9H,1-4,7-8,10H2,(H,18,19,20)
InChIKeyUOQYDJWHMXYBNS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.91
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (PubChem CID 8874355) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
PubChem CID8874355
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NC1=NCCS1
InChIInChI=1S/C17H18N2O3S/c20-16(19-17-18-7-8-23-17)10-21-11-5-6-15-13(9-11)12-3-1-2-4-14(12)22-15/h5-6,9H,1-4,7-8,10H2,(H,18,19,20)
InChIKeyUOQYDJWHMXYBNS-UHFFFAOYSA-N
XLogP2.91
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (CID 8874355) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is O=C(COc1ccc2oc3c(c2c1)CCCC3)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The InChIKey is UOQYDJWHMXYBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(19-17-18-7-8-23-17)10-21-11-5-6-15-13(9-11)12-3-1-2-4-14(12)22-15/h5-6,9H,1-4,7-8,10H2,(H,18,19,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is sourced from PubChem (CID 8874355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).