N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide

C17H15N3O2S — CID 135871167

IUPACN-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ncccc2O)n1)NCc1ccccc1
InChIInChI=1S/C17H15N3O2S/c21-14-7-4-8-18-16(14)17-20-13(11-23-17)9-15(22)19-10-12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H,19,22)
InChIKeyFUFBIUUUDAUQFY-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.77
Rot. Bonds5

About N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide

N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 135871167) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide
PubChem CID135871167
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ncccc2O)n1)NCc1ccccc1
InChIInChI=1S/C17H15N3O2S/c21-14-7-4-8-18-16(14)17-20-13(11-23-17)9-15(22)19-10-12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H,19,22)
InChIKeyFUFBIUUUDAUQFY-UHFFFAOYSA-N
XLogP2.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide (CID 135871167) is N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ncccc2O)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is FUFBIUUUDAUQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-14-7-4-8-18-16(14)17-20-13(11-23-17)9-15(22)19-10-12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H,19,22).
What are the key properties of N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide?
N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 135871167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).