N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide

C19H20N2O2S — CID 58470271

IUPACN-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1
InChIInChI=1S/C19H20N2O2S/c1-19(2,23)12-20-17(22)11-18-21-15-9-8-14(10-16(15)24-18)13-6-4-3-5-7-13/h3-10,23H,11-12H2,1-2H3,(H,20,22)
InChIKeyHPYHJBFNXJVZJE-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.39
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide

N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 58470271) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID58470271
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1
InChIInChI=1S/C19H20N2O2S/c1-19(2,23)12-20-17(22)11-18-21-15-9-8-14(10-16(15)24-18)13-6-4-3-5-7-13/h3-10,23H,11-12H2,1-2H3,(H,20,22)
InChIKeyHPYHJBFNXJVZJE-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (CID 58470271) is N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is CC(C)(O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HPYHJBFNXJVZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-19(2,23)12-20-17(22)11-18-21-15-9-8-14(10-16(15)24-18)13-6-4-3-5-7-13/h3-10,23H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 58470271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).