N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C16H20ClN3O2S — CID 166545609

IUPACN-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ncsc1-c1ccc(CNC(=O)C2CCCN2)c(O)c1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-10-15(22-9-19-10)11-4-5-12(14(20)7-11)8-18-16(21)13-3-2-6-17-13;/h4-5,7,9,13,17,20H,2-3,6,8H2,1H3,(H,18,21);1H
InChIKeyFLLCJUVGKQWGEH-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.61
Rot. Bonds4

About N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 166545609) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID166545609
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ncsc1-c1ccc(CNC(=O)C2CCCN2)c(O)c1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-10-15(22-9-19-10)11-4-5-12(14(20)7-11)8-18-16(21)13-3-2-6-17-13;/h4-5,7,9,13,17,20H,2-3,6,8H2,1H3,(H,18,21);1H
InChIKeyFLLCJUVGKQWGEH-UHFFFAOYSA-N
XLogP2.61
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride 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-[(1S)-1-[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 153320559
N-[1-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 153454032
N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 169040403
N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
CID 166013202
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 176767544
2-[(ethynylamino)methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenol
CID 174303519
(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146522628
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
1-[2-(butanoylamino)-3,3-dimethylbutanoyl]-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-methylpyrrolidine-2-carboxamide
CID 167062449
tert-butyl N-[1-[4-hydroxy-2-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 155890791
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041

Frequently Asked Questions

What is the IUPAC name of N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 166545609) is N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1ncsc1-c1ccc(CNC(=O)C2CCCN2)c(O)c1.Cl.
What is the InChIKey of N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FLLCJUVGKQWGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-10-15(22-9-19-10)11-4-5-12(14(20)7-11)8-18-16(21)13-3-2-6-17-13;/h4-5,7,9,13,17,20H,2-3,6,8H2,1H3,(H,18,21);1H.
What are the key properties of N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 166545609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).