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

C18H17N3O4S — CID 53369854

IUPAC2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)Nc1nccs1
InChIInChI=1S/C18H17N3O4S/c22-11-14-8-15(23)16(25-12-13-4-2-1-3-5-13)9-21(14)10-17(24)20-18-19-6-7-26-18/h1-9,22H,10-12H2,(H,19,20,24)
InChIKeyRXSJJAUCSBARSQ-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.01
Rot. Bonds7

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

2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 53369854) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID53369854
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)Nc1nccs1
InChIInChI=1S/C18H17N3O4S/c22-11-14-8-15(23)16(25-12-13-4-2-1-3-5-13)9-21(14)10-17(24)20-18-19-6-7-26-18/h1-9,22H,10-12H2,(H,19,20,24)
InChIKeyRXSJJAUCSBARSQ-UHFFFAOYSA-N
XLogP2.01
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (CID 53369854) is 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)Nc1nccs1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RXSJJAUCSBARSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-11-14-8-15(23)16(25-12-13-4-2-1-3-5-13)9-21(14)10-17(24)20-18-19-6-7-26-18/h1-9,22H,10-12H2,(H,19,20,24).
What are the key properties of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 371.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 53369854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).