2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

C17H21N3O2S — CID 95214051

IUPAC2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CO)NC[C@H]1CCN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H21N3O2S/c21-11-16(22)18-8-13-6-7-20(9-13)10-15-12-23-17(19-15)14-4-2-1-3-5-14/h1-5,12-13,21H,6-11H2,(H,18,22)/t13-/m1/s1
InChIKeyNHESEAWKSLDBRA-CYBMUJFWSA-N
MW331.44 g/mol
LogP1.74
Rot. Bonds6

About 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 95214051) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID95214051
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CO)NC[C@H]1CCN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H21N3O2S/c21-11-16(22)18-8-13-6-7-20(9-13)10-15-12-23-17(19-15)14-4-2-1-3-5-14/h1-5,12-13,21H,6-11H2,(H,18,22)/t13-/m1/s1
InChIKeyNHESEAWKSLDBRA-CYBMUJFWSA-N
XLogP1.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclopentanecarboxamide
CID 18554625
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
CID 22583820
(2R,3R)-N-(2-(4-benzylthiazol-2-yl)ethyl)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
CID 46229838
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 118524336
(S)-N-((R)-1-(5-benzyl-2-(2,5-difluorophenyl)thiazol-4-yl)-2,2-dimethylpropyl)-N-(((3S,4R)-4-fluoropyrrolidin-3-yl)methyl)-2-hydroxypropanamide
CID 53465112
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2464991
N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 5115919
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
CID 7518520
N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)pivalamide
CID 7522128

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (CID 95214051) is 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is O=C(CO)NC[C@H]1CCN(Cc2csc(-c3ccccc3)n2)C1.
What is the InChIKey of 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is NHESEAWKSLDBRA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-11-16(22)18-8-13-6-7-20(9-13)10-15-12-23-17(19-15)14-4-2-1-3-5-14/h1-5,12-13,21H,6-11H2,(H,18,22)/t13-/m1/s1.
What are the key properties of 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95214051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).