N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide

C19H20N2O2S — CID 99873823

IUPACN-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide
SMILESC[C@@](O)(CCc1ccccc1)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C19H20N2O2S/c1-19(23,10-9-14-5-3-2-4-6-14)12-20-18(22)15-7-8-16-17(11-15)24-13-21-16/h2-8,11,13,23H,9-10,12H2,1H3,(H,20,22)/t19-/m1/s1
InChIKeyGXJKQDREKPQQIQ-LJQANCHMSA-N
MW340.45 g/mol
LogP3.41
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide

N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 99873823) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide
PubChem CID99873823
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide
SMILESC[C@@](O)(CCc1ccccc1)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C19H20N2O2S/c1-19(23,10-9-14-5-3-2-4-6-14)12-20-18(22)15-7-8-16-17(11-15)24-13-21-16/h2-8,11,13,23H,9-10,12H2,1H3,(H,20,22)/t19-/m1/s1
InChIKeyGXJKQDREKPQQIQ-LJQANCHMSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide
CID 103839934
N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
N-(2-methoxy-2-phenylbutyl)-1,3-benzothiazole-6-carboxamide
CID 90599506
5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
CID 99873826
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 122243818
4-(1,3-benzothiazole-6-carbonylamino)-4-methylpentanoic acid
CID 62041776
N-[(4-pentylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 59192291
N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 31398756

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide (CID 99873823) is N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide is C[C@@](O)(CCc1ccccc1)CNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is GXJKQDREKPQQIQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-19(23,10-9-14-5-3-2-4-6-14)12-20-18(22)15-7-8-16-17(11-15)24-13-21-16/h2-8,11,13,23H,9-10,12H2,1H3,(H,20,22)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide?
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 99873823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).