2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

C16H13N3O2S — CID 4658609

IUPAC2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H13N3O2S/c20-15(10-21-13-4-2-1-3-5-13)19-16-18-14(11-22-16)12-6-8-17-9-7-12/h1-9,11H,10H2,(H,18,19,20)
InChIKeyGTZRWNTWJYHRKN-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.22
Rot. Bonds5

About 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4658609) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4658609
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H13N3O2S/c20-15(10-21-13-4-2-1-3-5-13)19-16-18-14(11-22-16)12-6-8-17-9-7-12/h1-9,11H,10H2,(H,18,19,20)
InChIKeyGTZRWNTWJYHRKN-UHFFFAOYSA-N
XLogP3.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (CID 4658609) is 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is O=C(COc1ccccc1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GTZRWNTWJYHRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-15(10-21-13-4-2-1-3-5-13)19-16-18-14(11-22-16)12-6-8-17-9-7-12/h1-9,11H,10H2,(H,18,19,20).
What are the key properties of 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 311.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4658609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).