2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide

C21H22N2O2S — CID 95769499

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
SMILESC[C@](O)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-21(25,17-10-6-3-7-11-17)15-22-19(24)13-18-14-26-20(23-18)12-16-8-4-2-5-9-16/h2-11,14,25H,12-13,15H2,1H3,(H,22,24)/t21-/m0/s1
InChIKeySSKYLIOSIIQISR-NRFANRHFSA-N
MW366.49 g/mol
LogP3.30
Rot. Bonds7

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide (PubChem CID 95769499) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
PubChem CID95769499
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
SMILESC[C@](O)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-21(25,17-10-6-3-7-11-17)15-22-19(24)13-18-14-26-20(23-18)12-16-8-4-2-5-9-16/h2-11,14,25H,12-13,15H2,1H3,(H,22,24)/t21-/m0/s1
InChIKeySSKYLIOSIIQISR-NRFANRHFSA-N
XLogP3.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 55803185
N-(1-benzylpyrazol-4-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 55948097
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701706
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 55671045
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119619930
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 38304679
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide (CID 95769499) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide is C[C@](O)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide?
The InChIKey is SSKYLIOSIIQISR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-21(25,17-10-6-3-7-11-17)15-22-19(24)13-18-14-26-20(23-18)12-16-8-4-2-5-9-16/h2-11,14,25H,12-13,15H2,1H3,(H,22,24)/t21-/m0/s1.
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide is sourced from PubChem (CID 95769499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).