N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide

C18H20N2O2S — CID 54436316

IUPACN-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide
SMILESCN1c2cccc(O)c2SC1CCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-20-14-8-5-9-15(21)18(14)23-17(20)10-11-19-16(22)12-13-6-3-2-4-7-13/h2-9,17,21H,10-12H2,1H3,(H,19,22)
InChIKeyWKZGFWDGXDMIQP-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide

N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide (PubChem CID 54436316) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide
PubChem CID54436316
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide
SMILESCN1c2cccc(O)c2SC1CCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-20-14-8-5-9-15(21)18(14)23-17(20)10-11-19-16(22)12-13-6-3-2-4-7-13/h2-9,17,21H,10-12H2,1H3,(H,19,22)
InChIKeyWKZGFWDGXDMIQP-UHFFFAOYSA-N
XLogP3.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide (CID 54436316) is N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide is CN1c2cccc(O)c2SC1CCNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is WKZGFWDGXDMIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-20-14-8-5-9-15(21)18(14)23-17(20)10-11-19-16(22)12-13-6-3-2-4-7-13/h2-9,17,21H,10-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide?
N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 328.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 54436316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).