N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide

C19H18N2O2S — CID 95379399

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H18N2O2S/c22-17(18-21-15-8-4-5-9-16(15)24-18)20-12-19(23,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,23H,10-12H2,(H,20,22)/t19-/m1/s1
InChIKeyIKAZIYPSGGYSKO-LJQANCHMSA-N
MW338.43 g/mol
LogP3.32
Rot. Bonds5

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 95379399) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID95379399
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H18N2O2S/c22-17(18-21-15-8-4-5-9-16(15)24-18)20-12-19(23,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,23H,10-12H2,(H,20,22)/t19-/m1/s1
InChIKeyIKAZIYPSGGYSKO-LJQANCHMSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide
CID 90497526
N-(2-hydroxy-3-methoxy-2-phenylpropyl)-1,3-benzothiazole-2-carboxamide
CID 122243128
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-1,3-benzothiazole-2-carboxamide
CID 95984337
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide
CID 99872590
N-[(1-phenylpyrrolidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 73168222
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
CID 90535556
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 2377381
N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide
CID 166414706
[(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium
CID 2377380
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 146080771
N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 74552021

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide (CID 95379399) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide is O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1nc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is IKAZIYPSGGYSKO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-17(18-21-15-8-4-5-9-16(15)24-18)20-12-19(23,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,23H,10-12H2,(H,20,22)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 95379399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).