(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C17H21N3O2S — CID 97019874

IUPAC(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESC[C@](O)(CNC(=O)[C@@H]1CCCN1c1nccs1)c1ccccc1
InChIInChI=1S/C17H21N3O2S/c1-17(22,13-6-3-2-4-7-13)12-19-15(21)14-8-5-10-20(14)16-18-9-11-23-16/h2-4,6-7,9,11,14,22H,5,8,10,12H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyJOAODRZZWWYFTM-YOEHRIQHSA-N
MW331.44 g/mol
LogP2.14
Rot. Bonds5

About (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 97019874) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID97019874
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESC[C@](O)(CNC(=O)[C@@H]1CCCN1c1nccs1)c1ccccc1
InChIInChI=1S/C17H21N3O2S/c1-17(22,13-6-3-2-4-7-13)12-19-15(21)14-8-5-10-20(14)16-18-9-11-23-16/h2-4,6-7,9,11,14,22H,5,8,10,12H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyJOAODRZZWWYFTM-YOEHRIQHSA-N
XLogP2.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124546926
N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 155950021
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822019
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
CID 111335036
N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 166281664
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51936972
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822352
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95761691
(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124570759
(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95620247
N-(2-amino-2-methylpropyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 119630002
N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99874598

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 97019874) is (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is C[C@](O)(CNC(=O)[C@@H]1CCCN1c1nccs1)c1ccccc1.
What is the InChIKey of (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is JOAODRZZWWYFTM-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-17(22,13-6-3-2-4-7-13)12-19-15(21)14-8-5-10-20(14)16-18-9-11-23-16/h2-4,6-7,9,11,14,22H,5,8,10,12H2,1H3,(H,19,21)/t14-,17-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97019874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).