2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide

C16H18N4O4S — CID 92634518

IUPAC2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(C(=O)N2CCCOCC2)ccc1=O)Nc1nccs1
InChIInChI=1S/C16H18N4O4S/c21-13(18-16-17-4-9-25-16)11-20-10-12(2-3-14(20)22)15(23)19-5-1-7-24-8-6-19/h2-4,9-10H,1,5-8,11H2,(H,17,18,21)
InChIKeySTWBBBHYVFURKD-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.81
Rot. Bonds4

About 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide

2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 92634518) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID92634518
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(C(=O)N2CCCOCC2)ccc1=O)Nc1nccs1
InChIInChI=1S/C16H18N4O4S/c21-13(18-16-17-4-9-25-16)11-20-10-12(2-3-14(20)22)15(23)19-5-1-7-24-8-6-19/h2-4,9-10H,1,5-8,11H2,(H,17,18,21)
InChIKeySTWBBBHYVFURKD-UHFFFAOYSA-N
XLogP0.81
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (CID 92634518) is 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(C(=O)N2CCCOCC2)ccc1=O)Nc1nccs1.
What is the InChIKey of 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is STWBBBHYVFURKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c21-13(18-16-17-4-9-25-16)11-20-10-12(2-3-14(20)22)15(23)19-5-1-7-24-8-6-19/h2-4,9-10H,1,5-8,11H2,(H,17,18,21).
What are the key properties of 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 92634518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).