N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide

C18H18N2O3S — CID 67777623

IUPACN-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1ccc(-c2nc3ccc(O)cc3s2)cc1
InChIInChI=1S/C18H18N2O3S/c1-11(19-12(2)21)10-23-15-6-3-13(4-7-15)18-20-16-8-5-14(22)9-17(16)24-18/h3-9,11,22H,10H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyZVICSXVAXVFQSM-NSHDSACASA-N
MW342.42 g/mol
LogP3.57
Rot. Bonds5

About N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide

N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide (PubChem CID 67777623) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide
PubChem CID67777623
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1ccc(-c2nc3ccc(O)cc3s2)cc1
InChIInChI=1S/C18H18N2O3S/c1-11(19-12(2)21)10-23-15-6-3-13(4-7-15)18-20-16-8-5-14(22)9-17(16)24-18/h3-9,11,22H,10H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyZVICSXVAXVFQSM-NSHDSACASA-N
XLogP3.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide (CID 67777623) is N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1ccc(-c2nc3ccc(O)cc3s2)cc1.
What is the InChIKey of N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide?
The InChIKey is ZVICSXVAXVFQSM-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11(19-12(2)21)10-23-15-6-3-13(4-7-15)18-20-16-8-5-14(22)9-17(16)24-18/h3-9,11,22H,10H2,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide?
N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide is sourced from PubChem (CID 67777623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).