N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide

C19H18N2O3S — CID 90220450

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1cccc(OCCO)c1
InChIInChI=1S/C19H18N2O3S/c22-9-10-24-16-8-4-7-15(12-16)18(23)21-19-20-13-17(25-19)11-14-5-2-1-3-6-14/h1-8,12-13,22H,9-11H2,(H,20,21,23)
InChIKeyZHOFNALLEOAVIA-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.36
Rot. Bonds7

About N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide (PubChem CID 90220450) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide
PubChem CID90220450
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1cccc(OCCO)c1
InChIInChI=1S/C19H18N2O3S/c22-9-10-24-16-8-4-7-15(12-16)18(23)21-19-20-13-17(25-19)11-14-5-2-1-3-6-14/h1-8,12-13,22H,9-11H2,(H,20,21,23)
InChIKeyZHOFNALLEOAVIA-UHFFFAOYSA-N
XLogP3.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide (CID 90220450) is N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1cccc(OCCO)c1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide?
The InChIKey is ZHOFNALLEOAVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-9-10-24-16-8-4-7-15(12-16)18(23)21-19-20-13-17(25-19)11-14-5-2-1-3-6-14/h1-8,12-13,22H,9-11H2,(H,20,21,23).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide has a molecular weight of 354.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 90220450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).