N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide

C20H20N2O3S — CID 46948001

IUPACN-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCOc1cccc(C(C)(O)c2nc(-c3cccc(NC(C)=O)c3)cs2)c1
InChIInChI=1S/C20H20N2O3S/c1-13(23)21-16-8-4-6-14(10-16)18-12-26-19(22-18)20(2,24)15-7-5-9-17(11-15)25-3/h4-12,24H,1-3H3,(H,21,23)
InChIKeyKBHSHZQDKSLATH-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.03
Rot. Bonds5

About N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 46948001) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID46948001
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCOc1cccc(C(C)(O)c2nc(-c3cccc(NC(C)=O)c3)cs2)c1
InChIInChI=1S/C20H20N2O3S/c1-13(23)21-16-8-4-6-14(10-16)18-12-26-19(22-18)20(2,24)15-7-5-9-17(11-15)25-3/h4-12,24H,1-3H3,(H,21,23)
InChIKeyKBHSHZQDKSLATH-UHFFFAOYSA-N
XLogP4.03
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide (CID 46948001) is N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide is COc1cccc(C(C)(O)c2nc(-c3cccc(NC(C)=O)c3)cs2)c1.
What is the InChIKey of N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is KBHSHZQDKSLATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13(23)21-16-8-4-6-14(10-16)18-12-26-19(22-18)20(2,24)15-7-5-9-17(11-15)25-3/h4-12,24H,1-3H3,(H,21,23).
What are the key properties of N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[1-hydroxy-1-(3-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 46948001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).